N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide

C8H11N5O — CID 123608790

IUPACN-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide
SMILESC=C(C)C=NN(C)C(=O)n1cncn1
InChIInChI=1S/C8H11N5O/c1-7(2)4-10-12(3)8(14)13-6-9-5-11-13/h4-6H,1H2,2-3H3
InChIKeyVWHUCWXFMIRSFK-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.74
Rot. Bonds2

About N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide

N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide (PubChem CID 123608790) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide
PubChem CID123608790
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide
SMILESC=C(C)C=NN(C)C(=O)n1cncn1
InChIInChI=1S/C8H11N5O/c1-7(2)4-10-12(3)8(14)13-6-9-5-11-13/h4-6H,1H2,2-3H3
InChIKeyVWHUCWXFMIRSFK-UHFFFAOYSA-N
XLogP0.74
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide (CID 123608790) is N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide is C=C(C)C=NN(C)C(=O)n1cncn1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide?
The InChIKey is VWHUCWXFMIRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-7(2)4-10-12(3)8(14)13-6-9-5-11-13/h4-6H,1H2,2-3H3.
What are the key properties of N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide?
N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide has a molecular weight of 193.21 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enylideneamino)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 123608790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).