6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine

C13H16ClN5 — CID 95968560

IUPAC6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine
SMILESClc1cncc(N[C@@H]2CCCC[C@@H]2n2cccn2)n1
InChIInChI=1S/C13H16ClN5/c14-12-8-15-9-13(18-12)17-10-4-1-2-5-11(10)19-7-3-6-16-19/h3,6-11H,1-2,4-5H2,(H,17,18)/t10-,11+/m1/s1
InChIKeyZSCHZJJMUKPZMK-MNOVXSKESA-N
MW277.76 g/mol
LogP2.92
Rot. Bonds3

About 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine

6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine (PubChem CID 95968560) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine
PubChem CID95968560
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine
SMILESClc1cncc(N[C@@H]2CCCC[C@@H]2n2cccn2)n1
InChIInChI=1S/C13H16ClN5/c14-12-8-15-9-13(18-12)17-10-4-1-2-5-11(10)19-7-3-6-16-19/h3,6-11H,1-2,4-5H2,(H,17,18)/t10-,11+/m1/s1
InChIKeyZSCHZJJMUKPZMK-MNOVXSKESA-N
XLogP2.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
6-chloro-N-(2-methylsulfanylcyclopentyl)pyrazin-2-amine
CID 103704052
6-chloro-N-(2-cyclopropylcyclopropyl)pyrazin-2-amine
CID 130747554
6-chloro-N-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 47470211
6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
CID 82729405
N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
CID 96566222
7-bromo-N-(2-pyrazol-1-ylcyclohexyl)-1,5-naphthyridin-4-amine
CID 133483777
6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
CID 64915443
6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine
CID 97215807
6-chloro-N-(2,5-dimethyloxolan-3-yl)pyrazin-2-amine
CID 130905693
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
CID 99622517
(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 124730444

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine (CID 95968560) is 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine is Clc1cncc(N[C@@H]2CCCC[C@@H]2n2cccn2)n1.
What is the InChIKey of 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine?
The InChIKey is ZSCHZJJMUKPZMK-MNOVXSKESA-N. The full InChI is InChI=1S/C13H16ClN5/c14-12-8-15-9-13(18-12)17-10-4-1-2-5-11(10)19-7-3-6-16-19/h3,6-11H,1-2,4-5H2,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine?
6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]pyrazin-2-amine is sourced from PubChem (CID 95968560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).