Azacitidine Impurity D

CAT: 1299-RM-A260304-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A260304-02Size:25 mg

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CAS Number

645-92-1

Synonyms

4,6-diamino-1,3,5-triazin-2 (1H) -one

Molecular Formula

C3H5N5O

Molecular Weight

127.1

Target Alternative Name

Azacitidine

Product Name Synonym

4,6-diamino-1,3,5-triazin-2 (1H) -one

Chemical Information

Ammeline

Ammeline is a diamino-1,3,5-triazine and a monohydroxy-1,3,5-triazine.

CAS Number	645-92-1
PubChem CID	135408770
IUPAC Name	4,6-diamino-1H-1,3,5-triazin-2-one
Molecular Formula	C3H5N5O
Molecular Weight	127.11
XLogP	-1.8
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	204

SMILES

C1(=NC(=NC(=O)N1)N)N

InChI

InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)

InChIKey

MASBWURJQFFLOO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 645-92-1

CID: 135408770

Formula: C3H5N5O

MW: 127.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.11
XLogP3	-1.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	127.04940980
Monoisotopic Mass	127.04940980
Topological Polar Surface Area	106 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	204
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