3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide

C13H15N5O2 — CID 30864454

IUPAC3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H15N5O2/c19-11(17-13-15-9-16-18-13)6-7-14-12(20)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,20)(H2,15,16,17,18,19)
InChIKeySAIODGVTYDIRIN-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.49
Rot. Bonds6

About 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide

3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 30864454) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID30864454
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H15N5O2/c19-11(17-13-15-9-16-18-13)6-7-14-12(20)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,20)(H2,15,16,17,18,19)
InChIKeySAIODGVTYDIRIN-UHFFFAOYSA-N
XLogP0.49
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 8797908
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
3-[(2-phenylacetyl)amino]-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
CID 154795585
2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2977312
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 63665630
1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 52575128
4-[benzenesulfonyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 2216075
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30865201

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 30864454) is 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is SAIODGVTYDIRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-11(17-13-15-9-16-18-13)6-7-14-12(20)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,14,20)(H2,15,16,17,18,19).
What are the key properties of 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 273.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 30864454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).