N-prop-2-enyl-2H-triazole-4-carboxamide

C6H8N4O — CID 61069642

IUPACN-prop-2-enyl-2H-triazole-4-carboxamide
SMILESC=CCNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H8N4O/c1-2-3-7-6(11)5-4-8-10-9-5/h2,4H,1,3H2,(H,7,11)(H,8,9,10)
InChIKeyNFKGHHDSLZAREJ-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.28
Rot. Bonds3

About N-prop-2-enyl-2H-triazole-4-carboxamide

N-prop-2-enyl-2H-triazole-4-carboxamide (PubChem CID 61069642) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-prop-2-enyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2H-triazole-4-carboxamide
PubChem CID61069642
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-prop-2-enyl-2H-triazole-4-carboxamide
SMILESC=CCNC(=O)c1cn[nH]n1
InChIInChI=1S/C6H8N4O/c1-2-3-7-6(11)5-4-8-10-9-5/h2,4H,1,3H2,(H,7,11)(H,8,9,10)
InChIKeyNFKGHHDSLZAREJ-UHFFFAOYSA-N
XLogP-0.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
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 N-prop-2-enyl-2H-triazole-4-carboxamide?
The IUPAC name of N-prop-2-enyl-2H-triazole-4-carboxamide (CID 61069642) is N-prop-2-enyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-2H-triazole-4-carboxamide is C=CCNC(=O)c1cn[nH]n1.
What is the InChIKey of N-prop-2-enyl-2H-triazole-4-carboxamide?
The InChIKey is NFKGHHDSLZAREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-3-7-6(11)5-4-8-10-9-5/h2,4H,1,3H2,(H,7,11)(H,8,9,10).
What are the key properties of N-prop-2-enyl-2H-triazole-4-carboxamide?
N-prop-2-enyl-2H-triazole-4-carboxamide has a molecular weight of 152.16 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 61069642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).