5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H16N6 — CID 52998550

IUPAC5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccccc2C)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C18H16N6/c1-12-6-3-4-8-15(12)21-16-10-13(2)20-18-22-17(23-24(16)18)14-7-5-9-19-11-14/h3-11,21H,1-2H3
InChIKeySYVLWZLTLUPXHM-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.55
Rot. Bonds3

About 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 52998550) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID52998550
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccccc2C)n2nc(-c3cccnc3)nc2n1
InChIInChI=1S/C18H16N6/c1-12-6-3-4-8-15(12)21-16-10-13(2)20-18-22-17(23-24(16)18)14-7-5-9-19-11-14/h3-11,21H,1-2H3
InChIKeySYVLWZLTLUPXHM-UHFFFAOYSA-N
XLogP3.55
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 52998550) is 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccccc2C)n2nc(-c3cccnc3)nc2n1.
What is the InChIKey of 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SYVLWZLTLUPXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-12-6-3-4-8-15(12)21-16-10-13(2)20-18-22-17(23-24(16)18)14-7-5-9-19-11-14/h3-11,21H,1-2H3.
What are the key properties of 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 316.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 52998550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).