N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide

C7H8N4O — CID 130741769

IUPACN-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1nncn1CC
InChIInChI=1S/C7H8N4O/c1-3-6(12)9-7-10-8-5-11(7)4-2/h1,5H,4H2,2H3,(H,9,10,12)
InChIKeyIXURDZLEDPXBKR-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.13
Rot. Bonds2

About N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide

N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide (PubChem CID 130741769) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide
PubChem CID130741769
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC NameN-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide
SMILESC#CC(=O)Nc1nncn1CC
InChIInChI=1S/C7H8N4O/c1-3-6(12)9-7-10-8-5-11(7)4-2/h1,5H,4H2,2H3,(H,9,10,12)
InChIKeyIXURDZLEDPXBKR-UHFFFAOYSA-N
XLogP-0.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-N-(4-ethyl-1,2,4-triazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 154739666
N-(4-ethyl-1,2,4-triazol-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167991098
ethyl 4-ethyl-1,2,4-triazole-3-carboxylate
CID 63356190
ethane;methyl 2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 145426471
4-ethyl-3-methylsulfonyl-1,2,4-triazole
CID 71306213
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 106302630
N-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 9379491
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
4-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]butanoic acid
CID 122079973
N-(4-acetyl-1,2,4-triazol-3-yl)acetamide
CID 86583172
ethyl 2-(4-ethyl-1,2,4-triazol-3-yl)propanoate
CID 79472412

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide?
The IUPAC name of N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide (CID 130741769) is N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide.
What is the SMILES notation for N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide?
The canonical SMILES for N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide is C#CC(=O)Nc1nncn1CC.
What is the InChIKey of N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide?
The InChIKey is IXURDZLEDPXBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-3-6(12)9-7-10-8-5-11(7)4-2/h1,5H,4H2,2H3,(H,9,10,12).
What are the key properties of N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide?
N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide has a molecular weight of 164.17 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,2,4-triazol-3-yl)prop-2-ynamide is sourced from PubChem (CID 130741769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).