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

C12H15N5O2 — CID 107734708

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CN)nn1)c1cccc(O)c1
InChIInChI=1S/C12H15N5O2/c1-16(10-3-2-4-11(18)5-10)12(19)8-17-7-9(6-13)14-15-17/h2-5,7,18H,6,8,13H2,1H3
InChIKeyMGHZVTWIBCXFHG-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.11
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 107734708) 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-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID107734708
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CN)nn1)c1cccc(O)c1
InChIInChI=1S/C12H15N5O2/c1-16(10-3-2-4-11(18)5-10)12(19)8-17-7-9(6-13)14-15-17/h2-5,7,18H,6,8,13H2,1H3
InChIKeyMGHZVTWIBCXFHG-UHFFFAOYSA-N
XLogP0.11
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.11
H-Bond Donors ≤ 52
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
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
1-(4-fluoro-3-hydroxyphenyl)-N-[(3Z,5E)-6-iodo-3-methylhepta-1,3,5-trien-2-yl]triazole-4-carboxamide
CID 156037773
N-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19531021
2-(5-methyltriazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 84432258
N-(3-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 113291703
N-(2-fluoro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 113291705
2-amino-N-[[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 114778063
2-[4-(aminomethyl)triazol-1-yl]-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839757
2-amino-N-[[1-(4-fluoro-3-methoxyphenyl)triazol-4-yl]methyl]acetamide
CID 114840700
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(difluoromethoxy)phenyl]acetamide
CID 115459137

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide (CID 107734708) is 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide is CN(C(=O)Cn1cc(CN)nn1)c1cccc(O)c1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is MGHZVTWIBCXFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16(10-3-2-4-11(18)5-10)12(19)8-17-7-9(6-13)14-15-17/h2-5,7,18H,6,8,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 261.29 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 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)-N-methylacetamide is sourced from PubChem (CID 107734708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).