6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline

C14H22N4 — CID 142140840

IUPAC6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
SMILESCc1nnc(C2CCC3C(C=CCN3C)C2)n1C
InChIInChI=1S/C14H22N4/c1-10-15-16-14(18(10)3)12-6-7-13-11(9-12)5-4-8-17(13)2/h4-5,11-13H,6-9H2,1-3H3
InChIKeyREMUNJXLBDHGBI-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.88
Rot. Bonds1

About 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline

6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline (PubChem CID 142140840) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline.

Molecular Properties

Compound Name6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
PubChem CID142140840
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
SMILESCc1nnc(C2CCC3C(C=CCN3C)C2)n1C
InChIInChI=1S/C14H22N4/c1-10-15-16-14(18(10)3)12-6-7-13-11(9-12)5-4-8-17(13)2/h4-5,11-13H,6-9H2,1-3H3
InChIKeyREMUNJXLBDHGBI-UHFFFAOYSA-N
XLogP1.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline with MolForge

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Launch Full Analysis

Related Compounds

3-heptan-4-yl-4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,2,4-triazole
CID 130374412
6-(4,5-Dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 142140831
4-(4-Cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 79211299
4-(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277811
1-{3-[(E)-2-cyclohexylvinyl]-1-methyl-1H-1,2,4-triazol-5-yl}piperidine
CID 121497083
3-But-3-enyl-5-(3-methylpentyl)-4-propan-2-yl-1,2,4-triazole
CID 144615109
1-[5-(2-Cyclohexylethenyl)-2-methyl-1,2,4-triazol-3-yl]piperidine
CID 171134562

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
The IUPAC name of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline (CID 142140840) is 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline.
What is the SMILES notation for 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
The canonical SMILES for 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline is Cc1nnc(C2CCC3C(C=CCN3C)C2)n1C.
What is the InChIKey of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
The InChIKey is REMUNJXLBDHGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-15-16-14(18(10)3)12-6-7-13-11(9-12)5-4-8-17(13)2/h4-5,11-13H,6-9H2,1-3H3.
What are the key properties of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline?
6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline has a molecular weight of 246.36 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 142140840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).