EN300-155601

CAT: 0127-BUP22744-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22744-01Size:2 mg

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

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CAS Number

1797171-55-1

Purity

≥95%

Smiles

Cl.Cl.N=C (N) NC (=O) c1cnccn1

Chemical Information

N-carbamimidoylpyrazine-2-carboxamide dihydrochloride

CAS Number	1797171-55-1
PubChem CID	75420757
IUPAC Name	N-(diaminomethylidene)pyrazine-2-carboxamide;dihydrochloride
Molecular Formula	C6H9Cl2N5O
Molecular Weight	238.07
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	198

SMILES

C1=CN=C(C=N1)C(=O)N=C(N)N.Cl.Cl

InChI

InChI=1S/C6H7N5O.2ClH/c7-6(8)11-5(12)4-3-9-1-2-10-4;;/h1-3H,(H4,7,8,11,12);2*1H

InChIKey

QRYNBQMFGIFDAV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1797171-55-1

CID: 75420757

Formula: C6H9Cl2N5O

MW: 238.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.07
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	237.0184153
Monoisotopic Mass	237.0184153
Topological Polar Surface Area	107 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198
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	3
Compound Is Canonicalized	Yes