N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide

C19H24N6O2 — CID 25449527

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cn(CCC2CCCCC2)nn1
InChIInChI=1S/C19H24N6O2/c1-24(12-15-7-8-16-17(11-15)22-27-21-16)19(26)18-13-25(23-20-18)10-9-14-5-3-2-4-6-14/h7-8,11,13-14H,2-6,9-10,12H2,1H3
InChIKeyABYJSUARGJGRQT-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.06
Rot. Bonds6

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide (PubChem CID 25449527) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide
PubChem CID25449527
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide
SMILESCN(Cc1ccc2nonc2c1)C(=O)c1cn(CCC2CCCCC2)nn1
InChIInChI=1S/C19H24N6O2/c1-24(12-15-7-8-16-17(11-15)22-27-21-16)19(26)18-13-25(23-20-18)10-9-14-5-3-2-4-6-14/h7-8,11,13-14H,2-6,9-10,12H2,1H3
InChIKeyABYJSUARGJGRQT-UHFFFAOYSA-N
XLogP3.06
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide (CID 25449527) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide is CN(Cc1ccc2nonc2c1)C(=O)c1cn(CCC2CCCCC2)nn1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide?
The InChIKey is ABYJSUARGJGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-24(12-15-7-8-16-17(11-15)22-27-21-16)19(26)18-13-25(23-20-18)10-9-14-5-3-2-4-6-14/h7-8,11,13-14H,2-6,9-10,12H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(2-cyclohexylethyl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 25449527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).