3-(1,2,4-triazol-1-yl)propanamide

C5H8N4O — CID 642205

IUPAC3-(1,2,4-triazol-1-yl)propanamide
SMILESNC(=O)CCn1cncn1
InChIInChI=1S/C5H8N4O/c6-5(10)1-2-9-4-7-3-8-9/h3-4H,1-2H2,(H2,6,10)
InChIKeyXWKHZZGMYLTPCR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.85
Rot. Bonds3

About 3-(1,2,4-triazol-1-yl)propanamide

3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 642205) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)propanamide
PubChem CID642205
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-(1,2,4-triazol-1-yl)propanamide
SMILESNC(=O)CCn1cncn1
InChIInChI=1S/C5H8N4O/c6-5(10)1-2-9-4-7-3-8-9/h3-4H,1-2H2,(H2,6,10)
InChIKeyXWKHZZGMYLTPCR-UHFFFAOYSA-N
XLogP-0.85
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-(1,2,4-triazol-1-yl)propyl]propanamide
CID 47029800
6,7-Dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 135636709
N-pentan-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 51075629
N-[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propanamide
CID 167239470
2-(1H-1,2,4-triazol-1-yl)propanamide
CID 2768672
3-(Tetrazol-1-yl)propanamide
CID 5324832
3-Azido-1,2,4-triazol-1-ylbutan-3-one
CID 12189777
N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 114383542
N-(3-amino-2,2-difluoropropyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 120408834
2-(1H-1,2,4-triazol-1-yl)acetamide
CID 2764817
N,N-dimethyl-3-(1,2,4-triazol-4-yl)propanamide
CID 53682031
2-(2-Methyl-1,2,4-triazol-3-yl)acetamide
CID 53784779

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 3-(1,2,4-triazol-1-yl)propanamide (CID 642205) is 3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)propanamide is NC(=O)CCn1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XWKHZZGMYLTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-5(10)1-2-9-4-7-3-8-9/h3-4H,1-2H2,(H2,6,10).
What are the key properties of 3-(1,2,4-triazol-1-yl)propanamide?
3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 140.15 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 642205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).