3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide

C16H13ClN6O2 — CID 10766773

IUPAC3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide
SMILESNCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C16H13ClN6O2/c17-9-3-4-11-10(8-9)15-21-14(12-2-1-7-25-12)22-23(15)16(19-11)20-13(24)5-6-18/h1-4,7-8H,5-6,18H2,(H,19,20,24)
InChIKeyRVMIIIKPFMQIGZ-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide

3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide (PubChem CID 10766773) has the molecular formula C16H13ClN6O2 and a molecular weight of 356.77 g/mol. Its IUPAC name is 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide
PubChem CID10766773
Molecular FormulaC16H13ClN6O2
Molecular Weight356.77 g/mol
Exact Mass356.08
IUPAC Name3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide
SMILESNCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C16H13ClN6O2/c17-9-3-4-11-10(8-9)15-21-14(12-2-1-7-25-12)22-23(15)16(19-11)20-13(24)5-6-18/h1-4,7-8H,5-6,18H2,(H,19,20,24)
InChIKeyRVMIIIKPFMQIGZ-UHFFFAOYSA-N
XLogP2.48
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide?
The IUPAC name of 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide (CID 10766773) is 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide.
What is the SMILES notation for 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide?
The canonical SMILES for 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide is NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12.
What is the InChIKey of 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide?
The InChIKey is RVMIIIKPFMQIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O2/c17-9-3-4-11-10(8-9)15-21-14(12-2-1-7-25-12)22-23(15)16(19-11)20-13(24)5-6-18/h1-4,7-8H,5-6,18H2,(H,19,20,24).
What are the key properties of 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide?
3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide has a molecular weight of 356.77 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]propanamide is sourced from PubChem (CID 10766773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).