5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C18H16N6O — CID 655783

IUPAC5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1
InChIInChI=1S/C18H16N6O/c1-25-15-7-5-13(6-8-15)16-10-17(24-18(23-16)21-12-22-24)20-11-14-4-2-3-9-19-14/h2-10,12,20H,11H2,1H3
InChIKeySZZCHCOMTCNFPO-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.81
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 655783) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID655783
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1
InChIInChI=1S/C18H16N6O/c1-25-15-7-5-13(6-8-15)16-10-17(24-18(23-16)21-12-22-24)20-11-14-4-2-3-9-19-14/h2-10,12,20H,11H2,1H3
InChIKeySZZCHCOMTCNFPO-UHFFFAOYSA-N
XLogP2.81
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 655783) is 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SZZCHCOMTCNFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-25-15-7-5-13(6-8-15)16-10-17(24-18(23-16)21-12-22-24)20-11-14-4-2-3-9-19-14/h2-10,12,20H,11H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 655783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).