5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide

C12H16N4O — CID 166309180

IUPAC5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1n[nH]nc1C1CC1
InChIInChI=1S/C12H16N4O/c1-3-7-16(8-4-2)12(17)11-10(9-5-6-9)13-15-14-11/h3-4,9H,1-2,5-8H2,(H,13,14,15)
InChIKeyYDOIBGMYNCXHSF-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds6

About 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide

5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide (PubChem CID 166309180) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide
PubChem CID166309180
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1n[nH]nc1C1CC1
InChIInChI=1S/C12H16N4O/c1-3-7-16(8-4-2)12(17)11-10(9-5-6-9)13-15-14-11/h3-4,9H,1-2,5-8H2,(H,13,14,15)
InChIKeyYDOIBGMYNCXHSF-UHFFFAOYSA-N
XLogP1.50
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide (CID 166309180) is 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide is C=CCN(CC=C)C(=O)c1n[nH]nc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide?
The InChIKey is YDOIBGMYNCXHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-7-16(8-4-2)12(17)11-10(9-5-6-9)13-15-14-11/h3-4,9H,1-2,5-8H2,(H,13,14,15).
What are the key properties of 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide?
5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 166309180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).