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

C12H12N4 — CID 147456489

IUPAC1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
SMILESCc1nc(-c2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C12H12N4/c1-8-13-12(15-14-8)10-7-16(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyDZBXOPMEKUVOSU-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.27
Rot. Bonds1

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

1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole (PubChem CID 147456489) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
PubChem CID147456489
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole
SMILESCc1nc(-c2cn(C)c3ccccc23)n[nH]1
InChIInChI=1S/C12H12N4/c1-8-13-12(15-14-8)10-7-16(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,13,14,15)
InChIKeyDZBXOPMEKUVOSU-UHFFFAOYSA-N
XLogP2.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]indole
CID 167905010
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CID 12006818
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indazole
CID 103119734
1-methyl-3-(4-methylpyrimidin-2-yl)indole
CID 134862486
4-methyl-6-(1-methylindol-3-yl)-1,3,5-triazin-2-amine
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3-(2-chloro-6-methylpyrimidin-4-yl)-1-methylindole
CID 116897369
3-(2,6-dimethylpyrimidin-4-yl)-1-methylindole
CID 116896947
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
1-methyl-3-(4-methylphenyl)indole
CID 58931542
3-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-1-methylindole
CID 53342024
3-(2-iodophenyl)-5-methyl-1H-1,2,4-triazole
CID 43166774

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole?
The IUPAC name of 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole (CID 147456489) is 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole.
What is the SMILES notation for 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole?
The canonical SMILES for 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole is Cc1nc(-c2cn(C)c3ccccc23)n[nH]1.
What is the InChIKey of 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole?
The InChIKey is DZBXOPMEKUVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-8-13-12(15-14-8)10-7-16(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole?
1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole has a molecular weight of 212.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)indole is sourced from PubChem (CID 147456489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).