9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C13H8ClN5O — CID 2690

IUPAC9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESNc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChIKeyMSJODEOZODDVGW-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.77
Rot. Bonds1

About 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 2690) has the molecular formula C13H8ClN5O and a molecular weight of 285.69 g/mol. Its IUPAC name is 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID2690
Molecular FormulaC13H8ClN5O
Molecular Weight285.69 g/mol
Exact Mass285.04
IUPAC Name9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESNc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChIKeyMSJODEOZODDVGW-UHFFFAOYSA-N
XLogP2.77
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 2690) is 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.
What is the InChIKey of 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is MSJODEOZODDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16).
What are the key properties of 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 285.69 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 2690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).