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

C15H17N5 — CID 5308416

IUPAC5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)n2ncnc2n1
InChIInChI=1S/C15H17N5/c1-10(2)12-4-6-13(7-5-12)19-14-8-11(3)18-15-16-9-17-20(14)15/h4-10,19H,1-3H3
InChIKeyLXJOQZDLENNPIN-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.30
Rot. Bonds3

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

5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308416) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308416
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(C(C)C)cc2)n2ncnc2n1
InChIInChI=1S/C15H17N5/c1-10(2)12-4-6-13(7-5-12)19-14-8-11(3)18-15-16-9-17-20(14)15/h4-10,19H,1-3H3
InChIKeyLXJOQZDLENNPIN-UHFFFAOYSA-N
XLogP3.30
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.30
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-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308416) is 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(C(C)C)cc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LXJOQZDLENNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10(2)12-4-6-13(7-5-12)19-14-8-11(3)18-15-16-9-17-20(14)15/h4-10,19H,1-3H3.
What are the key properties of 5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 3.30, 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-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).