6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

C17H22N4 — CID 62722712

IUPAC6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1nc(C2CCCC2)nc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H22N4/c1-21-17(19-16(20-21)12-5-2-3-6-12)14-8-9-15-13(11-14)7-4-10-18-15/h8-9,11-12,18H,2-7,10H2,1H3
InChIKeyVQKSQMYTAKEJPM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.50
Rot. Bonds2

About 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline

6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 62722712) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID62722712
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESCn1nc(C2CCCC2)nc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H22N4/c1-21-17(19-16(20-21)12-5-2-3-6-12)14-8-9-15-13(11-14)7-4-10-18-15/h8-9,11-12,18H,2-7,10H2,1H3
InChIKeyVQKSQMYTAKEJPM-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline (CID 62722712) is 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is Cn1nc(C2CCCC2)nc1-c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is VQKSQMYTAKEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-21-17(19-16(20-21)12-5-2-3-6-12)14-8-9-15-13(11-14)7-4-10-18-15/h8-9,11-12,18H,2-7,10H2,1H3.
What are the key properties of 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline?
6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 282.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62722712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).