4-phenyl-7H-pyrrolo[2,3-c]pyridazine

C12H9N3 — CID 51033832

IUPAC4-phenyl-7H-pyrrolo[2,3-c]pyridazine
SMILESc1ccc(-c2cnnc3[nH]ccc23)cc1
InChIInChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-8-14-15-12-10(11)6-7-13-12/h1-8H,(H,13,15)
InChIKeyIBKWODKJGMOSDB-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.62
Rot. Bonds1

About 4-phenyl-7H-pyrrolo[2,3-c]pyridazine

4-phenyl-7H-pyrrolo[2,3-c]pyridazine (PubChem CID 51033832) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-phenyl-7H-pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name4-phenyl-7H-pyrrolo[2,3-c]pyridazine
PubChem CID51033832
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name4-phenyl-7H-pyrrolo[2,3-c]pyridazine
SMILESc1ccc(-c2cnnc3[nH]ccc23)cc1
InChIInChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-8-14-15-12-10(11)6-7-13-12/h1-8H,(H,13,15)
InChIKeyIBKWODKJGMOSDB-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
PP121
CID 24905142
Rolodine
CID 5359646
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-7H-pyrrolo[2,3-c]pyridazine?
The IUPAC name of 4-phenyl-7H-pyrrolo[2,3-c]pyridazine (CID 51033832) is 4-phenyl-7H-pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 4-phenyl-7H-pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 4-phenyl-7H-pyrrolo[2,3-c]pyridazine is c1ccc(-c2cnnc3[nH]ccc23)cc1.
What is the InChIKey of 4-phenyl-7H-pyrrolo[2,3-c]pyridazine?
The InChIKey is IBKWODKJGMOSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-4-9(5-3-1)11-8-14-15-12-10(11)6-7-13-12/h1-8H,(H,13,15).
What are the key properties of 4-phenyl-7H-pyrrolo[2,3-c]pyridazine?
4-phenyl-7H-pyrrolo[2,3-c]pyridazine has a molecular weight of 195.22 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-7H-pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 51033832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).