N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide

C16H20N4O — CID 66681847

IUPACN-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C16H20N4O/c1-19(14-10-6-3-7-11-14)16(21)20-12-17-15(18-20)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
InChIKeyTUXLUMMUOWPRPT-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.18
Rot. Bonds2

About N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide

N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide (PubChem CID 66681847) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
PubChem CID66681847
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C16H20N4O/c1-19(14-10-6-3-7-11-14)16(21)20-12-17-15(18-20)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3
InChIKeyTUXLUMMUOWPRPT-UHFFFAOYSA-N
XLogP3.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide (CID 66681847) is N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
The InChIKey is TUXLUMMUOWPRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19(14-10-6-3-7-11-14)16(21)20-12-17-15(18-20)13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide?
N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 66681847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).