AA26-9

CAT: 0127-BUP05592-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05592-04Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1312782-34-5

Purity

=98%

Smiles

O=C(N1CCCC1)n1ccnn1

Chemical Information

Pyrrolidin-1-yl(1H-1,2,3-triazol-1-yl)methanone

CAS Number	1312782-34-5
PubChem CID	46829239
IUPAC Name	pyrrolidin-1-yl(triazol-1-yl)methanone
Molecular Formula	C7H10N4O
Molecular Weight	166.18
XLogP	0.1
Topological Polar Surface Area	51
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	178

SMILES

C1CCN(C1)C(=O)N2C=CN=N2

InChI

InChI=1S/C7H10N4O/c12-7(10-4-1-2-5-10)11-6-3-8-9-11/h3,6H,1-2,4-5H2

InChIKey

IFXGAMVQLDJRBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1312782-34-5

CID: 46829239

Formula: C7H10N4O

MW: 166.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.18
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	166.08546096
Monoisotopic Mass	166.08546096
Topological Polar Surface Area	51 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1023755-01	9H,9'H-[9,9'-Bifluorene]-9,9'-Dicarbaldehyde
OR1074018-01	9,9,9',9',9'',9''-Hexahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene
OR1032399-01	[9,9'-Bi-9H-Fluorene]-9,9'-dimethanol
OR1062050-01	9,9'-Bicarbazole
OR75921-01	9,9-Dihexylfluorene
OR1043832	9,9-Fluorenedipropionitrile
OR1012136-01	9,9'-Bianthracene
OR1025720-01	9,9'-Bifluorenylidene
OR918675-01	9,9-Dimethylxanthene
OR1062351	9,9,9',9'-Tetraoctyl-9H,9'H-2,2'-bifluorene