4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole

C13H14N4O — CID 83173536

IUPAC4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole
SMILESCOc1cccc2c1ccn2Cc1nncn1C
InChIInChI=1S/C13H14N4O/c1-16-9-14-15-13(16)8-17-7-6-10-11(17)4-3-5-12(10)18-2/h3-7,9H,8H2,1-2H3
InChIKeyHVGBLEIVGLEYDM-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.83
Rot. Bonds3

About 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole

4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole (PubChem CID 83173536) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole.

Molecular Properties

Compound Name4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole
PubChem CID83173536
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole
SMILESCOc1cccc2c1ccn2Cc1nncn1C
InChIInChI=1S/C13H14N4O/c1-16-9-14-15-13(16)8-17-7-6-10-11(17)4-3-5-12(10)18-2/h3-7,9H,8H2,1-2H3
InChIKeyHVGBLEIVGLEYDM-UHFFFAOYSA-N
XLogP1.83
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168271257
8-Methoxy-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317314
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]-5-methoxybenzimidazol-2-yl]pyridin-2-amine
CID 137550075
3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 142471814
2-(2-Fluorophenyl)-5-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]imidazo[4,5-c]pyridine
CID 145971048
7-(4-Methoxyphenyl)-2-(1-pyrrolyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1471640
3-(4-(3-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)-1H-indole
CID 3428306
1-Methyl-5-[4-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]indole
CID 16109328
2-(Imidazol-1-ylmethyl)-6-methoxy-1-phenylindole
CID 71568444
1-(4-Fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole
CID 71568445
2-(Imidazol-1-ylmethyl)-6-methoxy-1-[4-(trifluoromethyl)phenyl]indole
CID 71568446
4-[2-(Imidazol-1-ylmethyl)-6-methoxyindol-1-yl]benzonitrile
CID 71568447

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole?
The IUPAC name of 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole (CID 83173536) is 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole.
What is the SMILES notation for 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole?
The canonical SMILES for 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole is COc1cccc2c1ccn2Cc1nncn1C.
What is the InChIKey of 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole?
The InChIKey is HVGBLEIVGLEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-16-9-14-15-13(16)8-17-7-6-10-11(17)4-3-5-12(10)18-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole?
4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole has a molecular weight of 242.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]indole is sourced from PubChem (CID 83173536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).