2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H13N5O — CID 110205345

IUPAC2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(OCc2nc3nccc(-c4ccncc4)n3n2)cc1
InChIInChI=1S/C17H13N5O/c1-2-4-14(5-3-1)23-12-16-20-17-19-11-8-15(22(17)21-16)13-6-9-18-10-7-13/h1-11H,12H2
InChIKeyZWEJSKGWSXZHOB-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.77
Rot. Bonds4

About 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 110205345) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID110205345
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(OCc2nc3nccc(-c4ccncc4)n3n2)cc1
InChIInChI=1S/C17H13N5O/c1-2-4-14(5-3-1)23-12-16-20-17-19-11-8-15(22(17)21-16)13-6-9-18-10-7-13/h1-11H,12H2
InChIKeyZWEJSKGWSXZHOB-UHFFFAOYSA-N
XLogP2.77
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 110205345) is 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(OCc2nc3nccc(-c4ccncc4)n3n2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZWEJSKGWSXZHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-2-4-14(5-3-1)23-12-16-20-17-19-11-8-15(22(17)21-16)13-6-9-18-10-7-13/h1-11H,12H2.
What are the key properties of 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 303.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110205345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).