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

C20H19N5O — CID 3227271

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H19N5O/c1-26-17-9-7-15(8-10-17)11-12-21-19-13-18(16-5-3-2-4-6-16)24-20-22-14-23-25(19)20/h2-10,13-14,21H,11-12H2,1H3
InChIKeyWPUCXGWTZVUGQB-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.45
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227271) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227271
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(CCNc2cc(-c3ccccc3)nc3ncnn23)cc1
InChIInChI=1S/C20H19N5O/c1-26-17-9-7-15(8-10-17)11-12-21-19-13-18(16-5-3-2-4-6-16)24-20-22-14-23-25(19)20/h2-10,13-14,21H,11-12H2,1H3
InChIKeyWPUCXGWTZVUGQB-UHFFFAOYSA-N
XLogP3.45
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3227271) is N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(CCNc2cc(-c3ccccc3)nc3ncnn23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WPUCXGWTZVUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-17-9-7-15(8-10-17)11-12-21-19-13-18(16-5-3-2-4-6-16)24-20-22-14-23-25(19)20/h2-10,13-14,21H,11-12H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 345.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).