4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one

C9H5ClN4O2 — CID 10900641

IUPAC4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one
SMILESO=c1cc[nH]c2c(Cl)c3nnn(O)c3cc12
InChIInChI=1S/C9H5ClN4O2/c10-7-8-4(6(15)1-2-11-8)3-5-9(7)12-13-14(5)16/h1-3,16H,(H,11,15)
InChIKeyVVXGNEVMGROLPA-UHFFFAOYSA-N
MW236.62 g/mol
LogP1.16
Rot. Bonds

About 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one

4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one (PubChem CID 10900641) has the molecular formula C9H5ClN4O2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one
PubChem CID10900641
Molecular FormulaC9H5ClN4O2
Molecular Weight236.62 g/mol
Exact Mass236.01
IUPAC Name4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one
SMILESO=c1cc[nH]c2c(Cl)c3nnn(O)c3cc12
InChIInChI=1S/C9H5ClN4O2/c10-7-8-4(6(15)1-2-11-8)3-5-9(7)12-13-14(5)16/h1-3,16H,(H,11,15)
InChIKeyVVXGNEVMGROLPA-UHFFFAOYSA-N
XLogP1.16
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one?
The IUPAC name of 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one (CID 10900641) is 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one?
The canonical SMILES for 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one is O=c1cc[nH]c2c(Cl)c3nnn(O)c3cc12.
What is the InChIKey of 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one?
The InChIKey is VVXGNEVMGROLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O2/c10-7-8-4(6(15)1-2-11-8)3-5-9(7)12-13-14(5)16/h1-3,16H,(H,11,15).
What are the key properties of 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one?
4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one has a molecular weight of 236.62 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-5H-triazolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 10900641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).