2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

C12H10N6 — CID 112559852

IUPAC2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(-n2cncn2)nc(-c2ccccc2)n1
InChIInChI=1S/C12H10N6/c13-10-6-11(18-8-14-7-15-18)17-12(16-10)9-4-2-1-3-5-9/h1-8H,(H2,13,16,17)
InChIKeySGBXLKPFVUQDIL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.31
Rot. Bonds2

About 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine

2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (PubChem CID 112559852) has the molecular formula C12H10N6 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
PubChem CID112559852
Molecular FormulaC12H10N6
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
SMILESNc1cc(-n2cncn2)nc(-c2ccccc2)n1
InChIInChI=1S/C12H10N6/c13-10-6-11(18-8-14-7-15-18)17-12(16-10)9-4-2-1-3-5-9/h1-8H,(H2,13,16,17)
InChIKeySGBXLKPFVUQDIL-UHFFFAOYSA-N
XLogP1.31
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine (CID 112559852) is 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is Nc1cc(-n2cncn2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
The InChIKey is SGBXLKPFVUQDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6/c13-10-6-11(18-8-14-7-15-18)17-12(16-10)9-4-2-1-3-5-9/h1-8H,(H2,13,16,17).
What are the key properties of 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine?
2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine has a molecular weight of 238.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112559852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).