[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol

C11H14N4O2 — CID 90267958

IUPAC[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCNc1c(OC)cccc1-c1n[nH]c(CO)n1
InChIInChI=1S/C11H14N4O2/c1-12-10-7(4-3-5-8(10)17-2)11-13-9(6-16)14-15-11/h3-5,12,16H,6H2,1-2H3,(H,13,14,15)
InChIKeyMTUYEKPPXUUZBX-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.01
Rot. Bonds4

About [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol

[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 90267958) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol
PubChem CID90267958
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol
SMILESCNc1c(OC)cccc1-c1n[nH]c(CO)n1
InChIInChI=1S/C11H14N4O2/c1-12-10-7(4-3-5-8(10)17-2)11-13-9(6-16)14-15-11/h3-5,12,16H,6H2,1-2H3,(H,13,14,15)
InChIKeyMTUYEKPPXUUZBX-UHFFFAOYSA-N
XLogP1.01
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]aniline
CID 46397968
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-2-[3-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]aniline
CID 68940773
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-2-[3-[3-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]aniline
CID 91009842
4-fluoro-2-methoxy-N-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 129260168
2-methoxy-N-methyl-N-[(Z)-2-(methylideneamino)prop-1-enyl]-4-[5-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1H-1,2,4-triazol-3-yl]aniline
CID 163816276
N'-[2-[5-[2-[(4-fluorophenyl)methyl]cyclopropyl]-1H-1,2,4-triazol-3-yl]-6-methoxyphenyl]methanimidamide
CID 176762078
N'-[4-fluoro-2-[5-[2-(4-fluorophenyl)cyclopropyl]-1H-1,2,4-triazol-3-yl]-6-methoxyphenyl]methanimidamide
CID 176762092
N'-[4-fluoro-2-[5-(2-fluoro-2-phenylcyclopropyl)-1H-1,2,4-triazol-3-yl]-6-methoxyphenyl]methanimidamide
CID 176762119
4-fluoro-N-[[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43840042
[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 107923245
N-[2-methoxy-4-(1H-1,2,4-triazol-5-yl)phenyl]-N'-(2-methylsulfanylethyl)methanimidamide
CID 20165113
2-Methoxy-4-(4H-1,2,4-triazol-3-yl)aniline
CID 20165139

Frequently Asked Questions

What is the IUPAC name of [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol (CID 90267958) is [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol is CNc1c(OC)cccc1-c1n[nH]c(CO)n1.
What is the InChIKey of [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is MTUYEKPPXUUZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-12-10-7(4-3-5-8(10)17-2)11-13-9(6-16)14-15-11/h3-5,12,16H,6H2,1-2H3,(H,13,14,15).
What are the key properties of [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol?
[3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 234.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methoxy-2-(methylamino)phenyl]-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 90267958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).