2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole

C13H14N4 — CID 107054349

IUPAC2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole
SMILESCc1cc2ccccc2n1Cc1cn(C)nn1
InChIInChI=1S/C13H14N4/c1-10-7-11-5-3-4-6-13(11)17(10)9-12-8-16(2)15-14-12/h3-8H,9H2,1-2H3
InChIKeyXLLODCWSOQVUJA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.13
Rot. Bonds2

About 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole

2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole (PubChem CID 107054349) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole.

Molecular Properties

Compound Name2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole
PubChem CID107054349
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole
SMILESCc1cc2ccccc2n1Cc1cn(C)nn1
InChIInChI=1S/C13H14N4/c1-10-7-11-5-3-4-6-13(11)17(10)9-12-8-16(2)15-14-12/h3-8H,9H2,1-2H3
InChIKeyXLLODCWSOQVUJA-UHFFFAOYSA-N
XLogP2.13
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
CID 103866266
1-[(3,4-dichlorophenyl)methyl]-2-methylindole
CID 63812577
1-[(2-chlorophenyl)methyl]-2-methylindole
CID 4050112
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
2-methyl-1-(2-pyrazol-1-ylethyl)indole
CID 63810804
2-methyl-1-tetradecylindole
CID 19869962
1-(4-bromobutyl)-2-methylindole
CID 14785376
1-[(1-ethylimidazol-2-yl)methyl]-2-methylindole
CID 63811754
1-[2-(2-methylindol-1-yl)ethyl]pyrazol-4-amine
CID 62138265
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylindole
CID 114859479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole?
The IUPAC name of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole (CID 107054349) is 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole.
What is the SMILES notation for 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole?
The canonical SMILES for 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole is Cc1cc2ccccc2n1Cc1cn(C)nn1.
What is the InChIKey of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole?
The InChIKey is XLLODCWSOQVUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-10-7-11-5-3-4-6-13(11)17(10)9-12-8-16(2)15-14-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole?
2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole has a molecular weight of 226.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methyltriazol-4-yl)methyl]indole is sourced from PubChem (CID 107054349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).