2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C17H19N5 — CID 163488549

IUPAC2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)cc2nc(C3CCCCC3)nn12
InChIInChI=1S/C17H19N5/c18-17-19-14(12-7-3-1-4-8-12)11-15-20-16(21-22(15)17)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,18,19)
InChIKeySODFKIRLIGMNKN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.42
Rot. Bonds2

About 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 163488549) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID163488549
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)cc2nc(C3CCCCC3)nn12
InChIInChI=1S/C17H19N5/c18-17-19-14(12-7-3-1-4-8-12)11-15-20-16(21-22(15)17)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,18,19)
InChIKeySODFKIRLIGMNKN-UHFFFAOYSA-N
XLogP3.42
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 163488549) is 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccccc2)cc2nc(C3CCCCC3)nn12.
What is the InChIKey of 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is SODFKIRLIGMNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c18-17-19-14(12-7-3-1-4-8-12)11-15-20-16(21-22(15)17)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,18,19).
What are the key properties of 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 293.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 163488549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).