N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide

C19H25N5O — CID 4909179

IUPACN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
SMILESCC1CC(c2ccccc2)n2nc(NC(=O)C3CCCCC3)nc2N1
InChIInChI=1S/C19H25N5O/c1-13-12-16(14-8-4-2-5-9-14)24-19(20-13)22-18(23-24)21-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H2,20,21,22,23,25)
InChIKeyAAEIEWKYDTYEQH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.59
Rot. Bonds3

About N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide

N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide (PubChem CID 4909179) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
PubChem CID4909179
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide
SMILESCC1CC(c2ccccc2)n2nc(NC(=O)C3CCCCC3)nc2N1
InChIInChI=1S/C19H25N5O/c1-13-12-16(14-8-4-2-5-9-14)24-19(20-13)22-18(23-24)21-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H2,20,21,22,23,25)
InChIKeyAAEIEWKYDTYEQH-UHFFFAOYSA-N
XLogP3.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide (CID 4909179) is N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide is CC1CC(c2ccccc2)n2nc(NC(=O)C3CCCCC3)nc2N1.
What is the InChIKey of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
The InChIKey is AAEIEWKYDTYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-12-16(14-8-4-2-5-9-14)24-19(20-13)22-18(23-24)21-17(25)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3,(H2,20,21,22,23,25).
What are the key properties of N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide?
N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 4909179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).