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

C12H21N5O — CID 14772864

IUPACN-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)c1nnc(C(=O)NC2CCCCC2)n1C
InChIInChI=1S/C12H21N5O/c1-16(2)12-15-14-10(17(12)3)11(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18)
InChIKeyGSZPMHXCCVXKNO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.94
Rot. Bonds3

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

N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 14772864) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
PubChem CID14772864
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)c1nnc(C(=O)NC2CCCCC2)n1C
InChIInChI=1S/C12H21N5O/c1-16(2)12-15-14-10(17(12)3)11(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18)
InChIKeyGSZPMHXCCVXKNO-UHFFFAOYSA-N
XLogP0.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide (CID 14772864) is N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide is CN(C)c1nnc(C(=O)NC2CCCCC2)n1C.
What is the InChIKey of N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is GSZPMHXCCVXKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(2)12-15-14-10(17(12)3)11(18)13-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,13,18).
What are the key properties of N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14772864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).