9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

C10H7FN4 — CID 170354933

IUPAC9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3cc(F)ccc3cnn12
InChIInChI=1S/C10H7FN4/c1-6-13-14-10-9-4-8(11)3-2-7(9)5-12-15(6)10/h2-5H,1H3
InChIKeyWUJCTLZVUXDLRQ-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.73
Rot. Bonds

About 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine

9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 170354933) has the molecular formula C10H7FN4 and a molecular weight of 202.19 g/mol. Its IUPAC name is 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID170354933
Molecular FormulaC10H7FN4
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
SMILESCc1nnc2c3cc(F)ccc3cnn12
InChIInChI=1S/C10H7FN4/c1-6-13-14-10-9-4-8(11)3-2-7(9)5-12-15(6)10/h2-5H,1H3
InChIKeyWUJCTLZVUXDLRQ-UHFFFAOYSA-N
XLogP1.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine (CID 170354933) is 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine is Cc1nnc2c3cc(F)ccc3cnn12.
What is the InChIKey of 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is WUJCTLZVUXDLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4/c1-6-13-14-10-9-4-8(11)3-2-7(9)5-12-15(6)10/h2-5H,1H3.
What are the key properties of 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine?
9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 202.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 170354933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).