2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile

C14H10N4 — CID 175944571

IUPAC2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1Cn1cc2nccc-2cn1
InChIInChI=1S/C14H10N4/c15-7-11-3-1-2-4-13(11)9-18-10-14-12(8-17-18)5-6-16-14/h1-6,8,10H,9H2
InChIKeyKRJGLHWHJSPZSR-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.30
Rot. Bonds2

About 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile

2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile (PubChem CID 175944571) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile.

Molecular Properties

Compound Name2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile
PubChem CID175944571
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile
SMILESN#Cc1ccccc1Cn1cc2nccc-2cn1
InChIInChI=1S/C14H10N4/c15-7-11-3-1-2-4-13(11)9-18-10-14-12(8-17-18)5-6-16-14/h1-6,8,10H,9H2
InChIKeyKRJGLHWHJSPZSR-UHFFFAOYSA-N
XLogP2.30
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile?
The IUPAC name of 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile (CID 175944571) is 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile.
What is the SMILES notation for 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile?
The canonical SMILES for 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile is N#Cc1ccccc1Cn1cc2nccc-2cn1.
What is the InChIKey of 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile?
The InChIKey is KRJGLHWHJSPZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-7-11-3-1-2-4-13(11)9-18-10-14-12(8-17-18)5-6-16-14/h1-6,8,10H,9H2.
What are the key properties of 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile?
2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolo[2,3-d]pyridazin-6-ylmethyl)benzonitrile is sourced from PubChem (CID 175944571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).