1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H17ClN6 — CID 65324477

IUPAC1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESClc1nc(N2CCCC3CCCC32)nc(-n2cccn2)n1
InChIInChI=1S/C14H17ClN6/c15-12-17-13(19-14(18-12)21-9-3-7-16-21)20-8-2-5-10-4-1-6-11(10)20/h3,7,9-11H,1-2,4-6,8H2
InChIKeyJBQCVCAMXDIWIV-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 65324477) has the molecular formula C14H17ClN6 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID65324477
Molecular FormulaC14H17ClN6
Molecular Weight304.78 g/mol
Exact Mass304.12
IUPAC Name1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESClc1nc(N2CCCC3CCCC32)nc(-n2cccn2)n1
InChIInChI=1S/C14H17ClN6/c15-12-17-13(19-14(18-12)21-9-3-7-16-21)20-8-2-5-10-4-1-6-11(10)20/h3,7,9-11H,1-2,4-6,8H2
InChIKeyJBQCVCAMXDIWIV-UHFFFAOYSA-N
XLogP2.48
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

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Related Compounds

(2S,3aR,7aS)-1-propan-2-yl-5-pyrimidin-2-yl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 97460154
2-{4-[2-(1H-pyrazol-1-yl)ethyl]piperidin-1-yl}-1,3,5-triazine
CID 91777130
2-(4-Methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 140670129
2-Chloro-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 22308341
4-chloro-N-(2-methylcyclopentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55170898
2-Chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 62862834
2-(4-Chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-azabicyclo[2.2.1]heptane
CID 62862906
4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62862919
4-chloro-N-(4-ethylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863060
4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863217
4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863331
4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863669

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 65324477) is 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is Clc1nc(N2CCCC3CCCC32)nc(-n2cccn2)n1.
What is the InChIKey of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is JBQCVCAMXDIWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-12-17-13(19-14(18-12)21-9-3-7-16-21)20-8-2-5-10-4-1-6-11(10)20/h3,7,9-11H,1-2,4-6,8H2.
What are the key properties of 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 304.78 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 65324477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).