2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide

C12H15N5O2 — CID 115460129

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)Cn2cc(CN)nn2)c1
InChIInChI=1S/C12H15N5O2/c1-8-2-3-11(18)10(4-8)14-12(19)7-17-6-9(5-13)15-16-17/h2-4,6,18H,5,7,13H2,1H3,(H,14,19)
InChIKeySCDHOTFEPUEPIW-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.39
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 115460129) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide
PubChem CID115460129
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)Cn2cc(CN)nn2)c1
InChIInChI=1S/C12H15N5O2/c1-8-2-3-11(18)10(4-8)14-12(19)7-17-6-9(5-13)15-16-17/h2-4,6,18H,5,7,13H2,1H3,(H,14,19)
InChIKeySCDHOTFEPUEPIW-UHFFFAOYSA-N
XLogP0.39
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-hydroxy-2-[[1-(2-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155529491
5-[2-Fluoro-6-hydroxy-3-[1-(3-methylbutyl)triazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900853
CD-Mono-YI-DP
CID 16129557
1-[(2-chlorophenyl)methyl]-N-(2-hydroxy-5-methylphenyl)triazole-4-carboxamide
CID 136117756
1-[(2-fluorophenyl)methyl]-N-(2-hydroxy-5-methylphenyl)triazole-4-carboxamide
CID 136169719
N-(2-hydroxy-5-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 136169720
N-(2-hydroxy-5-methylphenyl)-1-[(2-methoxyphenyl)methyl]triazole-4-carboxamide
CID 136169721
(2S,3S)-2-[4-[(1S)-1-amino-2-(4-hydroxyphenyl)ethyl]triazol-1-yl]-3-methyl-1-piperazin-1-ylpentan-1-one
CID 16066627
3-(2-hydroxy-5-methylphenyl)-N-phenyltriazole-4-carboxamide
CID 134912596
2-(4-Cyclopropyltriazol-1-yl)-4-(trifluoromethyl)phenol
CID 118418257
5-[2-Fluoro-6-hydroxy-3-[1-(2-phenylethyl)triazol-4-yl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900536
5-[3-(1-Benzyltriazol-4-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168900794

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide (CID 115460129) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide is Cc1ccc(O)c(NC(=O)Cn2cc(CN)nn2)c1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is SCDHOTFEPUEPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-2-3-11(18)10(4-8)14-12(19)7-17-6-9(5-13)15-16-17/h2-4,6,18H,5,7,13H2,1H3,(H,14,19).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 115460129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).