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

C13H17N5O2 — CID 107734917

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cn1cc(CN)nn1)c1cccc(O)c1
InChIInChI=1S/C13H17N5O2/c1-2-18(11-4-3-5-12(19)6-11)13(20)9-17-8-10(7-14)15-16-17/h3-6,8,19H,2,7,9,14H2,1H3
InChIKeyRXQNHGKRWHUCFR-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.50
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide (PubChem CID 107734917) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide
PubChem CID107734917
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide
SMILESCCN(C(=O)Cn1cc(CN)nn1)c1cccc(O)c1
InChIInChI=1S/C13H17N5O2/c1-2-18(11-4-3-5-12(19)6-11)13(20)9-17-8-10(7-14)15-16-17/h3-6,8,19H,2,7,9,14H2,1H3
InChIKeyRXQNHGKRWHUCFR-UHFFFAOYSA-N
XLogP0.50
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.50
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
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
2-[4-(aminomethyl)triazol-1-yl]-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 115459978
2-[4-(aminomethyl)triazol-1-yl]-N-(2-fluoro-5-methoxyphenyl)acetamide
CID 115460141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide (CID 107734917) is 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide is CCN(C(=O)Cn1cc(CN)nn1)c1cccc(O)c1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide?
The InChIKey is RXQNHGKRWHUCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-18(11-4-3-5-12(19)6-11)13(20)9-17-8-10(7-14)15-16-17/h3-6,8,19H,2,7,9,14H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-(3-hydroxyphenyl)acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.50, 5 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-ethyl-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 107734917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).