3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide

C11H12N4O — CID 839995

IUPAC3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C11H12N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14,15,16)
InChIKeyHWPXCAUZCUIEFE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.38
Rot. Bonds4

About 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide

3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 839995) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID839995
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C11H12N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14,15,16)
InChIKeyHWPXCAUZCUIEFE-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
3-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 807820
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
4-tert-butyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 595272
4-(3-phenylpropanoyl)-4H-1,2,4-triazol-3-amine
CID 795426
3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 888108
4-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2168417
Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-
CID 2806529
3-phenyl-N-4H-1,2,4-triazol-3-ylacrylamide
CID 732158
3-(1H-1,2,4-triazol-5-ylamino)-2H-isoquinolin-1-one
CID 16727386
2-fluoro-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 729377
N-(4H-1,2,4-triazol-3-yl)benzamide
CID 728002

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 839995) is 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCc1ccccc1)Nc1ncn[nH]1.
What is the InChIKey of 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is HWPXCAUZCUIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14,15,16).
What are the key properties of 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 216.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 839995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).