6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine

C18H30N4 — CID 163933016

IUPAC6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine
SMILESCCCC(C)c1nnc(C(C)C)n1C1C=C2NCCCC2C1
InChIInChI=1S/C18H30N4/c1-5-7-13(4)18-21-20-17(12(2)3)22(18)15-10-14-8-6-9-19-16(14)11-15/h11-15,19H,5-10H2,1-4H3
InChIKeyRKHUZBOIPKDERU-UHFFFAOYSA-N
MW302.47 g/mol
LogP4.13
Rot. Bonds5

About 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine

6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine (PubChem CID 163933016) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine
PubChem CID163933016
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine
SMILESCCCC(C)c1nnc(C(C)C)n1C1C=C2NCCCC2C1
InChIInChI=1S/C18H30N4/c1-5-7-13(4)18-21-20-17(12(2)3)22(18)15-10-14-8-6-9-19-16(14)11-15/h11-15,19H,5-10H2,1-4H3
InChIKeyRKHUZBOIPKDERU-UHFFFAOYSA-N
XLogP4.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4,12-dimethyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraen-5-yl)methyl]cyclohex-2-en-1-yl]methyl]-N-methylpropan-1-amine
CID 123556141
ethane;ethene;3-methyl-6-(piperazin-1-ylmethyl)-5-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 144492242
2,2,6,6-tetramethyl-N-[(E)-4-[1-[4-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]ethenylimino]pent-2-en-3-yl]piperidin-4-amine
CID 164042948
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71973279
4-(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211138
4-(5-Methyl-4-propyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211139
4-(5-Methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211216
4-(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211217
4-(4-Cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211298
4-(4-Cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211299
4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine
CID 81057521
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 86799432

Frequently Asked Questions

What is the IUPAC name of 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine (CID 163933016) is 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine is CCCC(C)c1nnc(C(C)C)n1C1C=C2NCCCC2C1.
What is the InChIKey of 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine?
The InChIKey is RKHUZBOIPKDERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c1-5-7-13(4)18-21-20-17(12(2)3)22(18)15-10-14-8-6-9-19-16(14)11-15/h11-15,19H,5-10H2,1-4H3.
What are the key properties of 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine?
6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine has a molecular weight of 302.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pentan-2-yl-5-propan-2-yl-1,2,4-triazol-4-yl)-2,3,4,4a,5,6-hexahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 163933016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).