N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide

C6H8N4O2 — CID 155075039

IUPACN-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide
SMILESC=CCONC(=O)c1ncn[nH]1
InChIInChI=1S/C6H8N4O2/c1-2-3-12-10-6(11)5-7-4-8-9-5/h2,4H,1,3H2,(H,10,11)(H,7,8,9)
InChIKeyZNFJXHWFKOTKOB-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.35
Rot. Bonds4

About N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide

N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide (PubChem CID 155075039) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide
PubChem CID155075039
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide
SMILESC=CCONC(=O)c1ncn[nH]1
InChIInChI=1S/C6H8N4O2/c1-2-3-12-10-6(11)5-7-4-8-9-5/h2,4H,1,3H2,(H,10,11)(H,7,8,9)
InChIKeyZNFJXHWFKOTKOB-UHFFFAOYSA-N
XLogP-0.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
3-methyl-1-(1H-1,2,4-triazol-5-yl)but-3-en-1-one
CID 79177579
N-(5-methoxypentyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824779
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
N-(3,3-dimethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749109
2-[[2-(1H-1,2,4-triazole-5-carbonylamino)acetyl]amino]acetic acid
CID 63653985

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide (CID 155075039) is N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide is C=CCONC(=O)c1ncn[nH]1.
What is the InChIKey of N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is ZNFJXHWFKOTKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-2-3-12-10-6(11)5-7-4-8-9-5/h2,4H,1,3H2,(H,10,11)(H,7,8,9).
What are the key properties of N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide?
N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxy-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 155075039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).