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

C16H13N5O — CID 10214838

IUPAC2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C16H13N5O/c1-10-4-6-11(7-5-10)12-9-14-19-15(13-3-2-8-22-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
InChIKeyGPXRQAVGHKUJPT-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.94
Rot. Bonds2

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

2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10214838) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10214838
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C16H13N5O/c1-10-4-6-11(7-5-10)12-9-14-19-15(13-3-2-8-22-13)20-21(14)16(17)18-12/h2-9H,1H3,(H2,17,18)
InChIKeyGPXRQAVGHKUJPT-UHFFFAOYSA-N
XLogP2.94
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10214838) is 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is GPXRQAVGHKUJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-10-4-6-11(7-5-10)12-9-14-19-15(13-3-2-8-22-13)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-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 291.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10214838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).