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

C6H5N3 — CID 11513740

IUPAC7H-pyrrolo[2,3-c]pyridazine
SMILESc1cc2cc[nH]c2nn1
InChIInChI=1S/C6H5N3/c1-3-7-6-5(1)2-4-8-9-6/h1-4H,(H,7,9)
InChIKeyBXOVRVJPVVRHKP-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.96
Rot. Bonds

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

7H-pyrrolo[2,3-c]pyridazine (PubChem CID 11513740) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name7H-pyrrolo[2,3-c]pyridazine
PubChem CID11513740
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name7H-pyrrolo[2,3-c]pyridazine
SMILESc1cc2cc[nH]c2nn1
InChIInChI=1S/C6H5N3/c1-3-7-6-5(1)2-4-8-9-6/h1-4H,(H,7,9)
InChIKeyBXOVRVJPVVRHKP-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-c]pyridazine?
The IUPAC name of 7H-pyrrolo[2,3-c]pyridazine (CID 11513740) is 7H-pyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 7H-pyrrolo[2,3-c]pyridazine?
The canonical SMILES for 7H-pyrrolo[2,3-c]pyridazine is c1cc2cc[nH]c2nn1.
What is the InChIKey of 7H-pyrrolo[2,3-c]pyridazine?
The InChIKey is BXOVRVJPVVRHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-3-7-6-5(1)2-4-8-9-6/h1-4H,(H,7,9).
What are the key properties of 7H-pyrrolo[2,3-c]pyridazine?
7H-pyrrolo[2,3-c]pyridazine has a molecular weight of 119.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 11513740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).