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

C14H20N4 — CID 142140831

IUPAC6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC1=NC2CCC(c3nnc(C)n3C)CC2C=C1
InChIInChI=1S/C14H20N4/c1-9-4-5-11-8-12(6-7-13(11)15-9)14-17-16-10(2)18(14)3/h4-5,11-13H,6-8H2,1-3H3
InChIKeyJHUZEJFPDAQBHY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.41
Rot. Bonds1

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

6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 142140831) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID142140831
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
SMILESCC1=NC2CCC(c3nnc(C)n3C)CC2C=C1
InChIInChI=1S/C14H20N4/c1-9-4-5-11-8-12(6-7-13(11)15-9)14-17-16-10(2)18(14)3/h4-5,11-13H,6-8H2,1-3H3
InChIKeyJHUZEJFPDAQBHY-UHFFFAOYSA-N
XLogP2.41
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline 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

6-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-4a,5,6,7,8,8a-hexahydro-2H-quinoline
CID 142140840

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline (CID 142140831) is 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline is CC1=NC2CCC(c3nnc(C)n3C)CC2C=C1.
What is the InChIKey of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is JHUZEJFPDAQBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-4-5-11-8-12(6-7-13(11)15-9)14-17-16-10(2)18(14)3/h4-5,11-13H,6-8H2,1-3H3.
What are the key properties of 6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline?
6-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline has a molecular weight of 244.34 g/mol, XLogP of 2.41, 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)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 142140831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).