N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide

C19H24FN5O2 — CID 126775029

IUPACN-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC2(C(N)=O)CCCCC2)nn1-c1ccccc1F
InChIInChI=1S/C19H24FN5O2/c1-2-8-15-22-16(24-25(15)14-10-5-4-9-13(14)20)17(26)23-19(18(21)27)11-6-3-7-12-19/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H2,21,27)(H,23,26)
InChIKeyALKPIBYFXXEEMX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.28
Rot. Bonds6

About N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide

N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide (PubChem CID 126775029) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide
PubChem CID126775029
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC NameN-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC2(C(N)=O)CCCCC2)nn1-c1ccccc1F
InChIInChI=1S/C19H24FN5O2/c1-2-8-15-22-16(24-25(15)14-10-5-4-9-13(14)20)17(26)23-19(18(21)27)11-6-3-7-12-19/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H2,21,27)(H,23,26)
InChIKeyALKPIBYFXXEEMX-UHFFFAOYSA-N
XLogP2.28
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide (CID 126775029) is N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NC2(C(N)=O)CCCCC2)nn1-c1ccccc1F.
What is the InChIKey of N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ALKPIBYFXXEEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-2-8-15-22-16(24-25(15)14-10-5-4-9-13(14)20)17(26)23-19(18(21)27)11-6-3-7-12-19/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H2,21,27)(H,23,26).
What are the key properties of N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide?
N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclohexyl)-1-(2-fluorophenyl)-5-propyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 126775029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).