3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine

C15H16FN3 — CID 90102795

IUPAC3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
SMILESCC1(C)CNc2cc(Cc3ccc(F)cc3)nnc21
InChIInChI=1S/C15H16FN3/c1-15(2)9-17-13-8-12(18-19-14(13)15)7-10-3-5-11(16)6-4-10/h3-6,8,17H,7,9H2,1-2H3
InChIKeyPKFCBURHJILCSE-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.91
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine

3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine (PubChem CID 90102795) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
PubChem CID90102795
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine
SMILESCC1(C)CNc2cc(Cc3ccc(F)cc3)nnc21
InChIInChI=1S/C15H16FN3/c1-15(2)9-17-13-8-12(18-19-14(13)15)7-10-3-5-11(16)6-4-10/h3-6,8,17H,7,9H2,1-2H3
InChIKeyPKFCBURHJILCSE-UHFFFAOYSA-N
XLogP2.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine (CID 90102795) is 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine is CC1(C)CNc2cc(Cc3ccc(F)cc3)nnc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
The InChIKey is PKFCBURHJILCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-15(2)9-17-13-8-12(18-19-14(13)15)7-10-3-5-11(16)6-4-10/h3-6,8,17H,7,9H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine?
3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine has a molecular weight of 257.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7,7-dimethyl-5,6-dihydropyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 90102795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).