1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile

C7H5N5 — CID 154673893

IUPAC1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile
SMILESCn1ncc2cc(C#N)nnc21
InChIInChI=1S/C7H5N5/c1-12-7-5(4-9-12)2-6(3-8)10-11-7/h2,4H,1H3
InChIKeyHBQNEODBRUCGHP-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.23
Rot. Bonds

About 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile

1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile (PubChem CID 154673893) has the molecular formula C7H5N5 and a molecular weight of 159.15 g/mol. Its IUPAC name is 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile.

Molecular Properties

Compound Name1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile
PubChem CID154673893
Molecular FormulaC7H5N5
Molecular Weight159.15 g/mol
Exact Mass159.05
IUPAC Name1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile
SMILESCn1ncc2cc(C#N)nnc21
InChIInChI=1S/C7H5N5/c1-12-7-5(4-9-12)2-6(3-8)10-11-7/h2,4H,1H3
InChIKeyHBQNEODBRUCGHP-UHFFFAOYSA-N
XLogP0.23
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile?
The IUPAC name of 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile (CID 154673893) is 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile.
What is the SMILES notation for 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile?
The canonical SMILES for 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile is Cn1ncc2cc(C#N)nnc21.
What is the InChIKey of 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile?
The InChIKey is HBQNEODBRUCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5/c1-12-7-5(4-9-12)2-6(3-8)10-11-7/h2,4H,1H3.
What are the key properties of 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile?
1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazolo[3,4-c]pyridazine-5-carbonitrile is sourced from PubChem (CID 154673893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).