3-(1H-1,2,4-triazol-5-yl)prop-2-enamide

C5H6N4O — CID 169481354

IUPAC3-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ncn[nH]1
InChIInChI=1S/C5H6N4O/c6-4(10)1-2-5-7-3-8-9-5/h1-3H,(H2,6,10)(H,7,8,9)
InChIKeyGYCJSUHDIUOAAR-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.70
Rot. Bonds2

About 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide

3-(1H-1,2,4-triazol-5-yl)prop-2-enamide (PubChem CID 169481354) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)prop-2-enamide
PubChem CID169481354
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name3-(1H-1,2,4-triazol-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1ncn[nH]1
InChIInChI=1S/C5H6N4O/c6-4(10)1-2-5-7-3-8-9-5/h1-3H,(H2,6,10)(H,7,8,9)
InChIKeyGYCJSUHDIUOAAR-UHFFFAOYSA-N
XLogP-0.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide (CID 169481354) is 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide is NC(=O)C=Cc1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
The InChIKey is GYCJSUHDIUOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-4(10)1-2-5-7-3-8-9-5/h1-3H,(H2,6,10)(H,7,8,9).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide?
3-(1H-1,2,4-triazol-5-yl)prop-2-enamide has a molecular weight of 138.13 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)prop-2-enamide is sourced from PubChem (CID 169481354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).