6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C9H10FN5 — CID 119103557

IUPAC6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFCC1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C9H10FN5/c10-3-7-4-14(5-7)9-2-1-8-12-11-6-15(8)13-9/h1-2,6-7H,3-5H2
InChIKeyMNVZIHICYVIIDS-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.53
Rot. Bonds2

About 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 119103557) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID119103557
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFCC1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C9H10FN5/c10-3-7-4-14(5-7)9-2-1-8-12-11-6-15(8)13-9/h1-2,6-7H,3-5H2
InChIKeyMNVZIHICYVIIDS-UHFFFAOYSA-N
XLogP0.53
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 119103557) is 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is FCC1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MNVZIHICYVIIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c10-3-7-4-14(5-7)9-2-1-8-12-11-6-15(8)13-9/h1-2,6-7H,3-5H2.
What are the key properties of 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 207.21 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(fluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 119103557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).