N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H31N5O3 — CID 127034143

IUPACN-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(OC)cc3)nc12
InChIInChI=1S/C24H31N5O3/c1-3-4-8-15-28-16-20(22(30)25-18-9-6-5-7-10-18)23(31)29-24(28)26-21(27-29)17-11-13-19(32-2)14-12-17/h11-14,16,18H,3-10,15H2,1-2H3,(H,25,30)
InChIKeyOIZGQXOLVFAPHD-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.82
Rot. Bonds8

About N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 127034143) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID127034143
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(OC)cc3)nc12
InChIInChI=1S/C24H31N5O3/c1-3-4-8-15-28-16-20(22(30)25-18-9-6-5-7-10-18)23(31)29-24(28)26-21(27-29)17-11-13-19(32-2)14-12-17/h11-14,16,18H,3-10,15H2,1-2H3,(H,25,30)
InChIKeyOIZGQXOLVFAPHD-UHFFFAOYSA-N
XLogP3.82
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 127034143) is N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccc(OC)cc3)nc12.
What is the InChIKey of N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OIZGQXOLVFAPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-3-4-8-15-28-16-20(22(30)25-18-9-6-5-7-10-18)23(31)29-24(28)26-21(27-29)17-11-13-19(32-2)14-12-17/h11-14,16,18H,3-10,15H2,1-2H3,(H,25,30).
What are the key properties of N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 127034143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).