4-fluorotriazolo[4,5-i][1,2]benzodiazepine

C9H4FN5 — CID 70585918

IUPAC4-fluorotriazolo[4,5-i][1,2]benzodiazepine
SMILESFc1cc2cccnnc2c2nnnc12
InChIInChI=1S/C9H4FN5/c10-6-4-5-2-1-3-11-12-7(5)9-8(6)13-15-14-9/h1-4H
InChIKeyWKCWLUOGCCLWKQ-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.11
Rot. Bonds

About 4-fluorotriazolo[4,5-i][1,2]benzodiazepine

4-fluorotriazolo[4,5-i][1,2]benzodiazepine (PubChem CID 70585918) has the molecular formula C9H4FN5 and a molecular weight of 201.16 g/mol. Its IUPAC name is 4-fluorotriazolo[4,5-i][1,2]benzodiazepine.

Molecular Properties

Compound Name4-fluorotriazolo[4,5-i][1,2]benzodiazepine
PubChem CID70585918
Molecular FormulaC9H4FN5
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name4-fluorotriazolo[4,5-i][1,2]benzodiazepine
SMILESFc1cc2cccnnc2c2nnnc12
InChIInChI=1S/C9H4FN5/c10-6-4-5-2-1-3-11-12-7(5)9-8(6)13-15-14-9/h1-4H
InChIKeyWKCWLUOGCCLWKQ-UHFFFAOYSA-N
XLogP1.11
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolobenzodiazepine
CID 87072684
Triazolobenzodiazepine
CID 66714960
Benzo-triazolodiazepine
CID 67658199
Pyrazolobenzodiazepine
CID 68801840
Monochloro-triazolobenzodiazepine
CID 129719062
Dichlorotriazolobenzodiazepine
CID 129719070
Benzotriazoloazepine
CID 129885294
4-(Chloromethyl)triazolo[4,5-i][1,2]benzodiazepine
CID 67858203
Triazolo[4,5-i][1,2]benzodiazepin-4-ylmethanamine
CID 67858243
Triazolo[4,5-i][2,3]benzodiazepine
CID 69957214
Ethanamine;triazolo[4,5-i][1,2]benzodiazepine
CID 70499316
Triazolo[4,5-i][1,2]benzodiazepin-4-amine
CID 70506769

Frequently Asked Questions

What is the IUPAC name of 4-fluorotriazolo[4,5-i][1,2]benzodiazepine?
The IUPAC name of 4-fluorotriazolo[4,5-i][1,2]benzodiazepine (CID 70585918) is 4-fluorotriazolo[4,5-i][1,2]benzodiazepine.
What is the SMILES notation for 4-fluorotriazolo[4,5-i][1,2]benzodiazepine?
The canonical SMILES for 4-fluorotriazolo[4,5-i][1,2]benzodiazepine is Fc1cc2cccnnc2c2nnnc12.
What is the InChIKey of 4-fluorotriazolo[4,5-i][1,2]benzodiazepine?
The InChIKey is WKCWLUOGCCLWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FN5/c10-6-4-5-2-1-3-11-12-7(5)9-8(6)13-15-14-9/h1-4H.
What are the key properties of 4-fluorotriazolo[4,5-i][1,2]benzodiazepine?
4-fluorotriazolo[4,5-i][1,2]benzodiazepine has a molecular weight of 201.16 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorotriazolo[4,5-i][1,2]benzodiazepine is sourced from PubChem (CID 70585918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).