N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide

C17H26N6O — CID 127830037

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)Nc1ncn(C2CCCCC2)n1
InChIInChI=1S/C17H26N6O/c1-13(2)16-18-9-11-22(16)10-8-15(24)20-17-19-12-23(21-17)14-6-4-3-5-7-14/h9,11-14H,3-8,10H2,1-2H3,(H,20,21,24)
InChIKeyQESDFNZDKZZALR-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.13
Rot. Bonds6

About N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 127830037) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID127830037
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1CCC(=O)Nc1ncn(C2CCCCC2)n1
InChIInChI=1S/C17H26N6O/c1-13(2)16-18-9-11-22(16)10-8-15(24)20-17-19-12-23(21-17)14-6-4-3-5-7-14/h9,11-14H,3-8,10H2,1-2H3,(H,20,21,24)
InChIKeyQESDFNZDKZZALR-UHFFFAOYSA-N
XLogP3.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide (CID 127830037) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1CCC(=O)Nc1ncn(C2CCCCC2)n1.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is QESDFNZDKZZALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13(2)16-18-9-11-22(16)10-8-15(24)20-17-19-12-23(21-17)14-6-4-3-5-7-14/h9,11-14H,3-8,10H2,1-2H3,(H,20,21,24).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 330.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 127830037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).