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

C13H13N5O — CID 17190652

IUPAC6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nc3ncnn3c2N)cc1
InChIInChI=1S/C13H13N5O/c1-8-11(9-3-5-10(19-2)6-4-9)12(14)18-13(17-8)15-7-16-18/h3-7H,14H2,1-2H3
InChIKeyCDOMUMSXDVMZGL-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.69
Rot. Bonds2

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

6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 17190652) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID17190652
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nc3ncnn3c2N)cc1
InChIInChI=1S/C13H13N5O/c1-8-11(9-3-5-10(19-2)6-4-9)12(14)18-13(17-8)15-7-16-18/h3-7H,14H2,1-2H3
InChIKeyCDOMUMSXDVMZGL-UHFFFAOYSA-N
XLogP1.69
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 17190652) is 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nc3ncnn3c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CDOMUMSXDVMZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-11(9-3-5-10(19-2)6-4-9)12(14)18-13(17-8)15-7-16-18/h3-7H,14H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 255.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 17190652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).