3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole

C15H16N4 — CID 137108562

IUPAC3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
SMILESCn1nc(-c2c[nH]c3ccccc23)nc1C1CCC1
InChIInChI=1S/C15H16N4/c1-19-15(10-5-4-6-10)17-14(18-19)12-9-16-13-8-3-2-7-11(12)13/h2-3,7-10,16H,4-6H2,1H3
InChIKeyLJELZCRIKSLJNH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds2

About 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole

3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole (PubChem CID 137108562) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole.

Molecular Properties

Compound Name3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
PubChem CID137108562
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
SMILESCn1nc(-c2c[nH]c3ccccc23)nc1C1CCC1
InChIInChI=1S/C15H16N4/c1-19-15(10-5-4-6-10)17-14(18-19)12-9-16-13-8-3-2-7-11(12)13/h2-3,7-10,16H,4-6H2,1H3
InChIKeyLJELZCRIKSLJNH-UHFFFAOYSA-N
XLogP3.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]-1H-indole;hydrochloride
CID 163988747
(1R,2R,4S)-2-amino-4-[5-(1H-indol-3-yl)-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]cyclohexan-1-ol
CID 155504121
2-[3-(1H-indol-3-yl)-5-(1-methylazepan-2-yl)-1,2,4-triazol-1-yl]ethanol
CID 137214471
2-(1H-indol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 175946267
(3S)-N-[2-[5-(1H-indol-3-yl)-2-methyl-1,2,4-triazol-3-yl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 136696875
5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
CID 136995821
acetic acid;2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-(1H-indol-3-yl)-1,2,4-triazol-1-yl]ethanol
CID 155937919
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
2-(1H-indol-3-yl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135637531
3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole
CID 144611466
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole?
The IUPAC name of 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole (CID 137108562) is 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole.
What is the SMILES notation for 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole?
The canonical SMILES for 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole is Cn1nc(-c2c[nH]c3ccccc23)nc1C1CCC1.
What is the InChIKey of 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole?
The InChIKey is LJELZCRIKSLJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19-15(10-5-4-6-10)17-14(18-19)12-9-16-13-8-3-2-7-11(12)13/h2-3,7-10,16H,4-6H2,1H3.
What are the key properties of 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole?
3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole has a molecular weight of 252.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole is sourced from PubChem (CID 137108562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).