3-indazol-1-ylpyridazine-4-carbonitrile

C12H7N5 — CID 80509904

IUPAC3-indazol-1-ylpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1-n1ncc2ccccc21
InChIInChI=1S/C12H7N5/c13-7-9-5-6-14-16-12(9)17-11-4-2-1-3-10(11)8-15-17/h1-6,8H
InChIKeyBNGINXLGFGCSCO-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.69
Rot. Bonds1

About 3-indazol-1-ylpyridazine-4-carbonitrile

3-indazol-1-ylpyridazine-4-carbonitrile (PubChem CID 80509904) has the molecular formula C12H7N5 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-indazol-1-ylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-indazol-1-ylpyridazine-4-carbonitrile
PubChem CID80509904
Molecular FormulaC12H7N5
Molecular Weight221.22 g/mol
Exact Mass221.07
IUPAC Name3-indazol-1-ylpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1-n1ncc2ccccc21
InChIInChI=1S/C12H7N5/c13-7-9-5-6-14-16-12(9)17-11-4-2-1-3-10(11)8-15-17/h1-6,8H
InChIKeyBNGINXLGFGCSCO-UHFFFAOYSA-N
XLogP1.69
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylpyridazine-4-carbonitrile?
The IUPAC name of 3-indazol-1-ylpyridazine-4-carbonitrile (CID 80509904) is 3-indazol-1-ylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-indazol-1-ylpyridazine-4-carbonitrile?
The canonical SMILES for 3-indazol-1-ylpyridazine-4-carbonitrile is N#Cc1ccnnc1-n1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylpyridazine-4-carbonitrile?
The InChIKey is BNGINXLGFGCSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5/c13-7-9-5-6-14-16-12(9)17-11-4-2-1-3-10(11)8-15-17/h1-6,8H.
What are the key properties of 3-indazol-1-ylpyridazine-4-carbonitrile?
3-indazol-1-ylpyridazine-4-carbonitrile has a molecular weight of 221.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylpyridazine-4-carbonitrile is sourced from PubChem (CID 80509904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).