3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile

C8H9ClN4 — CID 130635068

IUPAC3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNc1cncc(Cl)n1
InChIInChI=1S/C8H9ClN4/c1-6(2-10)3-12-8-5-11-4-7(9)13-8/h4-6H,3H2,1H3,(H,12,13)
InChIKeyGDXCVBVVWIQXLD-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.70
Rot. Bonds3

About 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile

3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile (PubChem CID 130635068) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
PubChem CID130635068
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CNc1cncc(Cl)n1
InChIInChI=1S/C8H9ClN4/c1-6(2-10)3-12-8-5-11-4-7(9)13-8/h4-6H,3H2,1H3,(H,12,13)
InChIKeyGDXCVBVVWIQXLD-UHFFFAOYSA-N
XLogP1.70
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
6-chloro-N-prop-2-ynylpyrazin-2-amine
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6-chloro-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 104576969
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrazin-2-amine
CID 62992157
6-chloro-N-propylpyrazin-2-amine
CID 26370207
6-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazin-2-amine
CID 47151480
1-N-(6-chloropyrazin-2-yl)-2-methylpropane-1,2-diamine
CID 116650911
4-[(6-chloropyrazin-2-yl)amino]-2-methylbutanoic acid
CID 114335486
(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 95243026
6-chloro-N-methylpyrazin-2-amine
CID 26967011
6-chloro-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 61488509
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazin-2-amine
CID 79350173

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile (CID 130635068) is 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile is CC(C#N)CNc1cncc(Cl)n1.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile?
The InChIKey is GDXCVBVVWIQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-6(2-10)3-12-8-5-11-4-7(9)13-8/h4-6H,3H2,1H3,(H,12,13).
What are the key properties of 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile?
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile has a molecular weight of 196.64 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 130635068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).