2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide

C17H17N5O — CID 122157227

IUPAC2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
SMILESCc1nc(-c2cccc(NC(=O)C(N)c3ccccc3)c2)n[nH]1
InChIInChI=1S/C17H17N5O/c1-11-19-16(22-21-11)13-8-5-9-14(10-13)20-17(23)15(18)12-6-3-2-4-7-12/h2-10,15H,18H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyRQMMVULATNQNKI-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.42
Rot. Bonds4

About 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide

2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide (PubChem CID 122157227) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
PubChem CID122157227
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
SMILESCc1nc(-c2cccc(NC(=O)C(N)c3ccccc3)c2)n[nH]1
InChIInChI=1S/C17H17N5O/c1-11-19-16(22-21-11)13-8-5-9-14(10-13)20-17(23)15(18)12-6-3-2-4-7-12/h2-10,15H,18H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyRQMMVULATNQNKI-UHFFFAOYSA-N
XLogP2.42
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119298771
(2S)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 95646211
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(2-phenylbutyl)urea
CID 56518950
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 119043099
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 131899761
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
N-[(2S)-1-anilino-1-oxopropan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 95971466
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide (CID 122157227) is 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide is Cc1nc(-c2cccc(NC(=O)C(N)c3ccccc3)c2)n[nH]1.
What is the InChIKey of 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide?
The InChIKey is RQMMVULATNQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-19-16(22-21-11)13-8-5-9-14(10-13)20-17(23)15(18)12-6-3-2-4-7-12/h2-10,15H,18H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide?
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide has a molecular weight of 307.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 122157227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).