5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H15N5 — CID 25263416

IUPAC5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(-c3ccccc3)cc2)n2ncnc2n1
InChIInChI=1S/C18H15N5/c1-13-11-17(23-18(21-13)19-12-20-23)22-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,22H,1H3
InChIKeyIBIQQMUEGNRMTR-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.84
Rot. Bonds3

About 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25263416) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25263416
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(-c3ccccc3)cc2)n2ncnc2n1
InChIInChI=1S/C18H15N5/c1-13-11-17(23-18(21-13)19-12-20-23)22-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,22H,1H3
InChIKeyIBIQQMUEGNRMTR-UHFFFAOYSA-N
XLogP3.84
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25263416) is 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(-c3ccccc3)cc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IBIQQMUEGNRMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-13-11-17(23-18(21-13)19-12-20-23)22-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12,22H,1H3.
What are the key properties of 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 301.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25263416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).