N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

C11H19N5O2 — CID 15055969

IUPACN-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCNc1nn(C(=O)NC2CCCCC2)c(=O)n1C
InChIInChI=1S/C11H19N5O2/c1-12-9-14-16(11(18)15(9)2)10(17)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,14)(H,13,17)
InChIKeySFDQJLFAYUVTHS-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.51
Rot. Bonds2

About N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 15055969) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID15055969
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCNc1nn(C(=O)NC2CCCCC2)c(=O)n1C
InChIInChI=1S/C11H19N5O2/c1-12-9-14-16(11(18)15(9)2)10(17)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,14)(H,13,17)
InChIKeySFDQJLFAYUVTHS-UHFFFAOYSA-N
XLogP0.51
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (CID 15055969) is N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is CNc1nn(C(=O)NC2CCCCC2)c(=O)n1C.
What is the InChIKey of N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is SFDQJLFAYUVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-12-9-14-16(11(18)15(9)2)10(17)13-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,12,14)(H,13,17).
What are the key properties of N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 15055969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).