N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide

C12H14N4O — CID 1263172

IUPACN-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ncn[nH]1)NCCc1ccccc1
InChIInChI=1S/C12H14N4O/c17-12(8-11-14-9-15-16-11)13-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16)
InChIKeyKUPJAYFHXKCYKG-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.71
Rot. Bonds5

About N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide

N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 1263172) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID1263172
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ncn[nH]1)NCCc1ccccc1
InChIInChI=1S/C12H14N4O/c17-12(8-11-14-9-15-16-11)13-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16)
InChIKeyKUPJAYFHXKCYKG-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
1-[(1R)-1-phenylethyl]-3-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]urea;dihydrochloride
CID 168290234
N-(2-phenylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 1378149
N-Benzyl-1H-1,2,4-triazole-3-carboxamide
CID 1072357
3-benzyl-4H-1,2,4-triazole
CID 594447
2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-phenethyl-acetamide
CID 649287
[(1R)-1-[(5-benzyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155532867
N-[2-(4-chlorophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586663
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-(2-phenylethyl)acetamide
CID 698695
2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 14978582
3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
3,3-diphenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]propanamide
CID 90667235

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 1263172) is N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1ncn[nH]1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KUPJAYFHXKCYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(8-11-14-9-15-16-11)13-7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,17)(H,14,15,16).
What are the key properties of N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide?
N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 1263172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).