2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide

C11H13N5O2 — CID 113314117

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2cccc(O)c2)nn1
InChIInChI=1S/C11H13N5O2/c12-5-9-6-16(15-14-9)7-11(18)13-8-2-1-3-10(17)4-8/h1-4,6,17H,5,7,12H2,(H,13,18)
InChIKeyMRXLBPNFFJJDOX-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.08
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 113314117) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID113314117
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESNCc1cn(CC(=O)Nc2cccc(O)c2)nn1
InChIInChI=1S/C11H13N5O2/c12-5-9-6-16(15-14-9)7-11(18)13-8-2-1-3-10(17)4-8/h1-4,6,17H,5,7,12H2,(H,13,18)
InChIKeyMRXLBPNFFJJDOX-UHFFFAOYSA-N
XLogP0.08
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-hydroxy-2-[[1-(3-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155522900
Phenol, 3-(1H-1,2,3-triazol-1-yl)-
CID 70581149
2-(diethylamino)-N-[[1-(3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 51050636
1-[[1-(3-Hydroxyphenyl)triazol-4-yl]methyl]-3-methylpyrimidine-2,4-dione
CID 172450696
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1100793
1-(4-fluoro-3-hydroxyphenyl)-N-[(3Z,5E)-6-iodo-3-methylhepta-1,3,5-trien-2-yl]triazole-4-carboxamide
CID 156037773
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 19516761
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 19518273
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
CID 19519624
N-(3-hydroxyphenyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522071
N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531021
N-(3-hydroxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534907

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 113314117) is 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide is NCc1cn(CC(=O)Nc2cccc(O)c2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is MRXLBPNFFJJDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-5-9-6-16(15-14-9)7-11(18)13-8-2-1-3-10(17)4-8/h1-4,6,17H,5,7,12H2,(H,13,18).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.08, 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-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 113314117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).