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

C15H17N5 — CID 1429569

IUPAC6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1
InChIInChI=1S/C15H17N5/c1-4-13-11(3)18-15-16-9-17-20(15)14(13)19-12-7-5-10(2)6-8-12/h5-9,19H,4H2,1-3H3
InChIKeyFQQOLUSPMUDQDV-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.05
Rot. Bonds3

About 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1429569) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1429569
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1
InChIInChI=1S/C15H17N5/c1-4-13-11(3)18-15-16-9-17-20(15)14(13)19-12-7-5-10(2)6-8-12/h5-9,19H,4H2,1-3H3
InChIKeyFQQOLUSPMUDQDV-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1429569) is 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1.
What is the InChIKey of 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FQQOLUSPMUDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-13-11(3)18-15-16-9-17-20(15)14(13)19-12-7-5-10(2)6-8-12/h5-9,19H,4H2,1-3H3.
What are the key properties of 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1429569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).