7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C16H13N5O — CID 1471640

IUPAC7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1
InChIInChI=1S/C16H13N5O/c1-22-13-6-4-12(5-7-13)14-8-9-17-15-18-16(19-21(14)15)20-10-2-3-11-20/h2-11H,1H3
InChIKeyCIVZTKAQLNKZRZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.59
Rot. Bonds3

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

7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1471640) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1471640
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1
InChIInChI=1S/C16H13N5O/c1-22-13-6-4-12(5-7-13)14-8-9-17-15-18-16(19-21(14)15)20-10-2-3-11-20/h2-11H,1H3
InChIKeyCIVZTKAQLNKZRZ-UHFFFAOYSA-N
XLogP2.59
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1471640) is 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CIVZTKAQLNKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-13-6-4-12(5-7-13)14-8-9-17-15-18-16(19-21(14)15)20-10-2-3-11-20/h2-11H,1H3.
What are the key properties of 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 291.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-pyrrol-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1471640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).