2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C16H13N5O2 — CID 10125605

IUPAC2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C16H13N5O2/c1-22-11-6-4-10(5-7-11)12-9-14-19-15(13-3-2-8-23-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
InChIKeyJLFYHNZLNHPBRE-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10125605) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10125605
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C16H13N5O2/c1-22-11-6-4-10(5-7-11)12-9-14-19-15(13-3-2-8-23-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
InChIKeyJLFYHNZLNHPBRE-UHFFFAOYSA-N
XLogP2.64
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10125605) is 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JLFYHNZLNHPBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-22-11-6-4-10(5-7-11)12-9-14-19-15(13-3-2-8-23-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18).
What are the key properties of 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 307.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10125605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).