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

C12H11N5 — CID 975713

IUPAC5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)n2nc(N)nc2n1
InChIInChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)
InChIKeyZCOHGHCESYZASH-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.68
Rot. Bonds1

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

5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 975713) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID975713
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(-c2ccccc2)n2nc(N)nc2n1
InChIInChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16)
InChIKeyZCOHGHCESYZASH-UHFFFAOYSA-N
XLogP1.68
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 975713) is 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(-c2ccccc2)n2nc(N)nc2n1.
What is the InChIKey of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZCOHGHCESYZASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-8-7-10(9-5-3-2-4-6-9)17-12(14-8)15-11(13)16-17/h2-7H,1H3,(H2,13,16).
What are the key properties of 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 975713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).