6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide

C7H5ClN4O — CID 103187307

IUPAC6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
SMILESN#CCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C7H5ClN4O/c8-6-4-10-3-5(12-6)7(13)11-2-1-9/h3-4H,2H2,(H,11,13)
InChIKeyTYVLQPUBCWUHML-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.38
Rot. Bonds2

About 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide

6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide (PubChem CID 103187307) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
PubChem CID103187307
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide
SMILESN#CCNC(=O)c1cncc(Cl)n1
InChIInChI=1S/C7H5ClN4O/c8-6-4-10-3-5(12-6)7(13)11-2-1-9/h3-4H,2H2,(H,11,13)
InChIKeyTYVLQPUBCWUHML-UHFFFAOYSA-N
XLogP0.38
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,3-dimethylbutyl)pyrazine-2-carboxamide
CID 106551385
6-chloro-N-(2-methoxyethoxy)pyrazine-2-carboxamide
CID 106551480
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 106551326
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 106551339
6-chloro-N-ethoxypyrazine-2-carboxamide
CID 103186905
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551213
6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide
CID 106551343
6-chloro-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 103187109
tert-butyl N-[1-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpropan-2-yl]carbamate
CID 169195889

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide (CID 103187307) is 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide is N#CCNC(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide?
The InChIKey is TYVLQPUBCWUHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c8-6-4-10-3-5(12-6)7(13)11-2-1-9/h3-4H,2H2,(H,11,13).
What are the key properties of 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide?
6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide has a molecular weight of 196.60 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyanomethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103187307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).