3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

C16H10N6O — CID 10171782

IUPAC3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1
InChIInChI=1S/C16H10N6O/c17-9-10-3-1-4-11(7-10)12-8-14-20-15(13-5-2-6-23-13)21-22(14)16(18)19-12/h1-8H,(H2,18,19)
InChIKeyOCUPMVYUACXLTD-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.51
Rot. Bonds2

About 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile

3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (PubChem CID 10171782) has the molecular formula C16H10N6O and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
PubChem CID10171782
Molecular FormulaC16H10N6O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1
InChIInChI=1S/C16H10N6O/c17-9-10-3-1-4-11(7-10)12-8-14-20-15(13-5-2-6-23-13)21-22(14)16(18)19-12/h1-8H,(H2,18,19)
InChIKeyOCUPMVYUACXLTD-UHFFFAOYSA-N
XLogP2.51
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile (CID 10171782) is 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is N#Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1.
What is the InChIKey of 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is OCUPMVYUACXLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O/c17-9-10-3-1-4-11(7-10)12-8-14-20-15(13-5-2-6-23-13)21-22(14)16(18)19-12/h1-8H,(H2,18,19).
What are the key properties of 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile?
3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 302.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 10171782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).