3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide

C9H10ClN7O — CID 123590520

IUPAC3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NCn2cccn2)nc1Cl
InChIInChI=1S/C9H10ClN7O/c10-6-8(12)16-7(11)5(15-6)9(18)13-4-17-3-1-2-14-17/h1-3H,4H2,(H,13,18)(H4,11,12,16)
InChIKeyJVOPYFRGFSOWMB-UHFFFAOYSA-N
MW267.68 g/mol
LogP-0.12
Rot. Bonds3

About 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide (PubChem CID 123590520) has the molecular formula C9H10ClN7O and a molecular weight of 267.68 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide
PubChem CID123590520
Molecular FormulaC9H10ClN7O
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NCn2cccn2)nc1Cl
InChIInChI=1S/C9H10ClN7O/c10-6-8(12)16-7(11)5(15-6)9(18)13-4-17-3-1-2-14-17/h1-3H,4H2,(H,13,18)(H4,11,12,16)
InChIKeyJVOPYFRGFSOWMB-UHFFFAOYSA-N
XLogP-0.12
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(pyrazol-1-ylmethyl)benzamide
CID 70404120
pyrazol-1-ylmethylcarbamic acid;hydrochloride
CID 70297363
2-benzamidoethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 58398769
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
[(2S)-1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]pentan-2-yl]-trimethylazanium
CID 57389653
4-aminobutyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 86656641
3,5-diamino-N-[amino(pyrazol-1-yl)methylidene]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide;phenylmethanamine
CID 159372249
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
CID 57393343
3,5-diamino-6-chloro-N-[(1,3-diethylbenzimidazol-3-ium-2-yl)methyl]pyrazine-2-carboxamide
CID 53258353
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
CID 86656628
3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351482

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide (CID 123590520) is 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NCn2cccn2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is JVOPYFRGFSOWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN7O/c10-6-8(12)16-7(11)5(15-6)9(18)13-4-17-3-1-2-14-17/h1-3H,4H2,(H,13,18)(H4,11,12,16).
What are the key properties of 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 267.68 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-(pyrazol-1-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 123590520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).