6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H9N5 — CID 2763471

IUPAC6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccccc2)cnc2ncnn12
InChIInChI=1S/C11H9N5/c12-10-9(8-4-2-1-3-5-8)6-13-11-14-7-15-16(10)11/h1-7H,12H2
InChIKeyREBXMCHIFCICTM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.37
Rot. Bonds1

About 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2763471) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID2763471
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccccc2)cnc2ncnn12
InChIInChI=1S/C11H9N5/c12-10-9(8-4-2-1-3-5-8)6-13-11-14-7-15-16(10)11/h1-7H,12H2
InChIKeyREBXMCHIFCICTM-UHFFFAOYSA-N
XLogP1.37
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 2763471) is 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccccc2)cnc2ncnn12.
What is the InChIKey of 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is REBXMCHIFCICTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-10-9(8-4-2-1-3-5-8)6-13-11-14-7-15-16(10)11/h1-7H,12H2.
What are the key properties of 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 211.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2763471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).