4-[5-(methylaminomethyl)triazol-1-yl]phenol

C10H12N4O — CID 117167374

IUPAC4-[5-(methylaminomethyl)triazol-1-yl]phenol
SMILESCNCc1cnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H12N4O/c1-11-6-9-7-12-13-14(9)8-2-4-10(15)5-3-8/h2-5,7,11,15H,6H2,1H3
InChIKeyHQYIIPZPXKNXSG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.69
Rot. Bonds3

About 4-[5-(methylaminomethyl)triazol-1-yl]phenol

4-[5-(methylaminomethyl)triazol-1-yl]phenol (PubChem CID 117167374) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[5-(methylaminomethyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(methylaminomethyl)triazol-1-yl]phenol
PubChem CID117167374
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-[5-(methylaminomethyl)triazol-1-yl]phenol
SMILESCNCc1cnnn1-c1ccc(O)cc1
InChIInChI=1S/C10H12N4O/c1-11-6-9-7-12-13-14(9)8-2-4-10(15)5-3-8/h2-5,7,11,15H,6H2,1H3
InChIKeyHQYIIPZPXKNXSG-UHFFFAOYSA-N
XLogP0.69
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine
CID 107451575
4-[5-(methylaminomethyl)triazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 107451687
N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451133
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]phenol
CID 117167347
4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol
CID 115030668
1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 107451888
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107451386
N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide
CID 110874281
N-[[3-(3,4,5-trifluorophenyl)triazol-4-yl]methyl]ethanamine
CID 107451598
N-[[3-(4-ethoxyphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107450996

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylaminomethyl)triazol-1-yl]phenol?
The IUPAC name of 4-[5-(methylaminomethyl)triazol-1-yl]phenol (CID 117167374) is 4-[5-(methylaminomethyl)triazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(methylaminomethyl)triazol-1-yl]phenol?
The canonical SMILES for 4-[5-(methylaminomethyl)triazol-1-yl]phenol is CNCc1cnnn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(methylaminomethyl)triazol-1-yl]phenol?
The InChIKey is HQYIIPZPXKNXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-11-6-9-7-12-13-14(9)8-2-4-10(15)5-3-8/h2-5,7,11,15H,6H2,1H3.
What are the key properties of 4-[5-(methylaminomethyl)triazol-1-yl]phenol?
4-[5-(methylaminomethyl)triazol-1-yl]phenol has a molecular weight of 204.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylaminomethyl)triazol-1-yl]phenol is sourced from PubChem (CID 117167374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).