N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide

C18H26N6O — CID 166380030

IUPACN-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2ncc(C3CCCCC3)cn2)n(C)n1
InChIInChI=1S/C18H26N6O/c1-12(2)17-21-15(24(3)23-17)9-16(25)22-18-19-10-14(11-20-18)13-7-5-4-6-8-13/h10-13H,4-9H2,1-3H3,(H,19,20,22,25)
InChIKeySEZZTHDUMJJXPO-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.96
Rot. Bonds5

About N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide

N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 166380030) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID166380030
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2ncc(C3CCCCC3)cn2)n(C)n1
InChIInChI=1S/C18H26N6O/c1-12(2)17-21-15(24(3)23-17)9-16(25)22-18-19-10-14(11-20-18)13-7-5-4-6-8-13/h10-13H,4-9H2,1-3H3,(H,19,20,22,25)
InChIKeySEZZTHDUMJJXPO-UHFFFAOYSA-N
XLogP2.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide (CID 166380030) is N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide is CC(C)c1nc(CC(=O)Nc2ncc(C3CCCCC3)cn2)n(C)n1.
What is the InChIKey of N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is SEZZTHDUMJJXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-12(2)17-21-15(24(3)23-17)9-16(25)22-18-19-10-14(11-20-18)13-7-5-4-6-8-13/h10-13H,4-9H2,1-3H3,(H,19,20,22,25).
What are the key properties of N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexylpyrimidin-2-yl)-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 166380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).