2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline

C13H14N4 — CID 142265871

IUPAC2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
SMILESCC1=CC=C2C(c3n[nH]c(C)n3)=CC=CC2N1
InChIInChI=1S/C13H14N4/c1-8-6-7-10-11(4-3-5-12(10)14-8)13-15-9(2)16-17-13/h3-7,12,14H,1-2H3,(H,15,16,17)
InChIKeyFWYADGKTBIIIDJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.87
Rot. Bonds1

About 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline

2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline (PubChem CID 142265871) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline.

Molecular Properties

Compound Name2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
PubChem CID142265871
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
SMILESCC1=CC=C2C(c3n[nH]c(C)n3)=CC=CC2N1
InChIInChI=1S/C13H14N4/c1-8-6-7-10-11(4-3-5-12(10)14-8)13-15-9(2)16-17-13/h3-7,12,14H,1-2H3,(H,15,16,17)
InChIKeyFWYADGKTBIIIDJ-UHFFFAOYSA-N
XLogP1.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydropyridin-6-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexa-1,3-dien-1-amine
CID 68029945
ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
CID 142265870
lawrencium;2-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-azepine
CID 145598548
5-[5-methyl-4-(propylamino)cyclohexa-1,3-dien-1-yl]-1H-1,2,4-triazol-3-amine
CID 154972606
3-(3,3-dimethylbutan-2-yl)-5-methyl-1H-1,2,4-triazole;5-(2,2-dimethylpropyl)-2-methylidene-1H-pyridine;methane
CID 157798237
3-(3,3-dimethylbutan-2-yl)-5-methyl-1H-1,2,4-triazole;5-(2,2-dimethylpropyl)-2-methylidene-1H-pyridine
CID 161405044
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 5247902
2-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-azepine
CID 145598549

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
The IUPAC name of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline (CID 142265871) is 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline.
What is the SMILES notation for 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
The canonical SMILES for 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline is CC1=CC=C2C(c3n[nH]c(C)n3)=CC=CC2N1.
What is the InChIKey of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
The InChIKey is FWYADGKTBIIIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-6-7-10-11(4-3-5-12(10)14-8)13-15-9(2)16-17-13/h3-7,12,14H,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline has a molecular weight of 226.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline is sourced from PubChem (CID 142265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).