3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

C20H29N7 — CID 134127673

IUPAC3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCN1CCC2NNC(c3nc(-c4ccncc4)nn3C3CCCCC3)C2C1
InChIInChI=1S/C20H29N7/c1-26-12-9-17-16(13-26)18(24-23-17)20-22-19(14-7-10-21-11-8-14)25-27(20)15-5-3-2-4-6-15/h7-8,10-11,15-18,23-24H,2-6,9,12-13H2,1H3
InChIKeyKSXVHFCPJTTYTF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.31
Rot. Bonds3

About 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (PubChem CID 134127673) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
PubChem CID134127673
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC Name3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
SMILESCN1CCC2NNC(c3nc(-c4ccncc4)nn3C3CCCCC3)C2C1
InChIInChI=1S/C20H29N7/c1-26-12-9-17-16(13-26)18(24-23-17)20-22-19(14-7-10-21-11-8-14)25-27(20)15-5-3-2-4-6-15/h7-8,10-11,15-18,23-24H,2-6,9,12-13H2,1H3
InChIKeyKSXVHFCPJTTYTF-UHFFFAOYSA-N
XLogP2.31
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine (CID 134127673) is 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is CN1CCC2NNC(c3nc(-c4ccncc4)nn3C3CCCCC3)C2C1.
What is the InChIKey of 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
The InChIKey is KSXVHFCPJTTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-26-12-9-17-16(13-26)18(24-23-17)20-22-19(14-7-10-21-11-8-14)25-27(20)15-5-3-2-4-6-15/h7-8,10-11,15-18,23-24H,2-6,9,12-13H2,1H3.
What are the key properties of 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine?
3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine has a molecular weight of 367.50 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 134127673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).