N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide

C16H20N4O2 — CID 166280881

IUPACN-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide
SMILESCC1(NC(=O)c2ccc(-n3ccnn3)cc2)CCC(O)CC1
InChIInChI=1S/C16H20N4O2/c1-16(8-6-14(21)7-9-16)18-15(22)12-2-4-13(5-3-12)20-11-10-17-19-20/h2-5,10-11,14,21H,6-9H2,1H3,(H,18,22)
InChIKeyQJLHCBDNJVZMDT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.69
Rot. Bonds3

About N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide

N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide (PubChem CID 166280881) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide
PubChem CID166280881
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide
SMILESCC1(NC(=O)c2ccc(-n3ccnn3)cc2)CCC(O)CC1
InChIInChI=1S/C16H20N4O2/c1-16(8-6-14(21)7-9-16)18-15(22)12-2-4-13(5-3-12)20-11-10-17-19-20/h2-5,10-11,14,21H,6-9H2,1H3,(H,18,22)
InChIKeyQJLHCBDNJVZMDT-UHFFFAOYSA-N
XLogP1.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide?
The IUPAC name of N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide (CID 166280881) is N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide is CC1(NC(=O)c2ccc(-n3ccnn3)cc2)CCC(O)CC1.
What is the InChIKey of N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide?
The InChIKey is QJLHCBDNJVZMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(8-6-14(21)7-9-16)18-15(22)12-2-4-13(5-3-12)20-11-10-17-19-20/h2-5,10-11,14,21H,6-9H2,1H3,(H,18,22).
What are the key properties of N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide?
N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 166280881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).