(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

C17H14N8O — CID 97264834

IUPAC(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H14N8O/c26-17(15(25-11-20-23-24-25)12-5-2-1-3-6-12)21-14-8-4-7-13(9-14)16-18-10-19-22-16/h1-11,15H,(H,21,26)(H,18,19,22)/t15-/m1/s1
InChIKeyWGKWBYUSARGKNU-OAHLLOKOSA-N
MW346.35 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide

(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (PubChem CID 97264834) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
PubChem CID97264834
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
SMILESO=C(Nc1cccc(-c2ncn[nH]2)c1)[C@@H](c1ccccc1)n1cnnn1
InChIInChI=1S/C17H14N8O/c26-17(15(25-11-20-23-24-25)12-5-2-1-3-6-12)21-14-8-4-7-13(9-14)16-18-10-19-22-16/h1-11,15H,(H,21,26)(H,18,19,22)/t15-/m1/s1
InChIKeyWGKWBYUSARGKNU-OAHLLOKOSA-N
XLogP1.69
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(1-methylbenzimidazol-5-yl)-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97265723
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 129381815
4,5-dimethyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-3-carboxamide
CID 125431047
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
methyl 5-phenyl-2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71829708
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2S)-2-phenyl-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)acetamide
CID 71829742
4-methylsulfanyl-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121239991
methyl 2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71827924
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97263754
methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 71706326

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide (CID 97264834) is (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is O=C(Nc1cccc(-c2ncn[nH]2)c1)[C@@H](c1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
The InChIKey is WGKWBYUSARGKNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14N8O/c26-17(15(25-11-20-23-24-25)12-5-2-1-3-6-12)21-14-8-4-7-13(9-14)16-18-10-19-22-16/h1-11,15H,(H,21,26)(H,18,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide?
(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 97264834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).