3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

C9H7ClN6 — CID 164830024

IUPAC3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2cnc(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C9H7ClN6/c1-5-2-7(16-15-5)13-8-4-12-6(3-11)9(10)14-8/h2,4H,1H3,(H2,13,14,15,16)
InChIKeyCJYQBTAINUSEAO-UHFFFAOYSA-N
MW234.65 g/mol
LogP1.78
Rot. Bonds2

About 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 164830024) has the molecular formula C9H7ClN6 and a molecular weight of 234.65 g/mol. Its IUPAC name is 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID164830024
Molecular FormulaC9H7ClN6
Molecular Weight234.65 g/mol
Exact Mass234.04
IUPAC Name3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2cnc(C#N)c(Cl)n2)n[nH]1
InChIInChI=1S/C9H7ClN6/c1-5-2-7(16-15-5)13-8-4-12-6(3-11)9(10)14-8/h2,4H,1H3,(H2,13,14,15,16)
InChIKeyCJYQBTAINUSEAO-UHFFFAOYSA-N
XLogP1.78
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 74426336
2-chloro-4-[4-(2-methylpropyl)phenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 88956087
2-chloro-3-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzonitrile
CID 91800723
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-6-methylsulfonylpyrimidin-4-amine
CID 87622938
3-(4-chloro-3-methylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
CID 20626296
3-[(1S,5R)-3-[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-b]pyrazin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 158669112
6-bromo-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
CID 154684827
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
CID 67098729
N-(5-methyl-1H-pyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 90245634

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 164830024) is 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2cnc(C#N)c(Cl)n2)n[nH]1.
What is the InChIKey of 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is CJYQBTAINUSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN6/c1-5-2-7(16-15-5)13-8-4-12-6(3-11)9(10)14-8/h2,4H,1H3,(H2,13,14,15,16).
What are the key properties of 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 234.65 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164830024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).