N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide

C11H12N4O — CID 1378149

IUPACN-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C11H12N4O/c16-11(10-13-8-14-15-10)12-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
InChIKeySEEGOBWRKMYMGT-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.78
Rot. Bonds4

About N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 1378149) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID1378149
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1ncn[nH]1
InChIInChI=1S/C11H12N4O/c16-11(10-13-8-14-15-10)12-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
InChIKeySEEGOBWRKMYMGT-UHFFFAOYSA-N
XLogP0.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.78
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
N-(3-Phenylpropyl)-1H-1,2,4-triazole-1-acetamide
CID 3731870
N-(4-chlorobenzyl)-1H-1,2,4-triazole-3-carboxamide
CID 2976151
N-Benzyl-1H-1,2,4-triazole-3-carboxamide
CID 1072357
[(1R)-1-[(5-benzyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155532867
[(1R)-1-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155563323
N-[2-(4-chlorophenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 586663
N-(2-phenylethyl)-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 1263172
3-amino-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 9937578
2-acetamido-N-benzyl-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 14978582
(4-benzylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 589634
3-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 44280878

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 1378149) is N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCCc1ccccc1)c1ncn[nH]1.
What is the InChIKey of N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SEEGOBWRKMYMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-11(10-13-8-14-15-10)12-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15).
What are the key properties of N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 1378149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).