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

C14H12ClN5O4S — CID 14031927

IUPAC9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O.CH4O3S/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9;1-5(2,3)4/h1-6H,(H2,15,16);1H3,(H,2,3,4)
InChIKeyPQEASSIWDQCILC-UHFFFAOYSA-N
MW381.80 g/mol
LogP2.28
Rot. Bonds1

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

9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid (PubChem CID 14031927) has the molecular formula C14H12ClN5O4S and a molecular weight of 381.80 g/mol. Its IUPAC name is 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid.

Molecular Properties

Compound Name9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid
PubChem CID14031927
Molecular FormulaC14H12ClN5O4S
Molecular Weight381.80 g/mol
Exact Mass381.03
IUPAC Name9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
InChIInChI=1S/C13H8ClN5O.CH4O3S/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9;1-5(2,3)4/h1-6H,(H2,15,16);1H3,(H,2,3,4)
InChIKeyPQEASSIWDQCILC-UHFFFAOYSA-N
XLogP2.28
TPSA136.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid with MolForge

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Related Compounds

Mrs-1220
CID 393595
9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
Mrs1177
CID 10045876
Mrs1186
CID 10065929
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(3-chloro-phenyl)-urea
CID 10225178
1-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-3-(4-methoxy-phenyl)-urea
CID 10296638
Cgs 15696
CID 135554424
N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2,2-diphenyl-acetamide
CID 10552717
(S)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 10621898
(R)-N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-propionamide
CID 11742718
7-(3-Amino-phenyl)-2-furan-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10193038
2-(Furan-2-YL)-7-phenyl-[1,2,4]triazolo[1,5-C]pyrimidin-5-amine
CID 10236339

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;methanesulfonic acid?
The IUPAC name of 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid (CID 14031927) is 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid.
What is the SMILES notation for 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid?
The canonical SMILES for 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid is CS(=O)(=O)O.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;methanesulfonic acid?
The InChIKey is PQEASSIWDQCILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5O.CH4O3S/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9;1-5(2,3)4/h1-6H,(H2,15,16);1H3,(H,2,3,4).
What are the key properties of 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid?
9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;methanesulfonic acid has a molecular weight of 381.80 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 8 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;methanesulfonic acid is sourced from PubChem (CID 14031927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).