4-(pyridazin-3-ylamino)benzonitrile

C11H8N4 — CID 10797938

IUPAC4-(pyridazin-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cccnn2)cc1
InChIInChI=1S/C11H8N4/c12-8-9-3-5-10(6-4-9)14-11-2-1-7-13-15-11/h1-7H,(H,14,15)
InChIKeyKYCOQYCXHBMFJA-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.09
Rot. Bonds2

About 4-(pyridazin-3-ylamino)benzonitrile

4-(pyridazin-3-ylamino)benzonitrile (PubChem CID 10797938) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(pyridazin-3-ylamino)benzonitrile.

Molecular Properties

Compound Name4-(pyridazin-3-ylamino)benzonitrile
PubChem CID10797938
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name4-(pyridazin-3-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2cccnn2)cc1
InChIInChI=1S/C11H8N4/c12-8-9-3-5-10(6-4-9)14-11-2-1-7-13-15-11/h1-7H,(H,14,15)
InChIKeyKYCOQYCXHBMFJA-UHFFFAOYSA-N
XLogP2.09
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-aminoethoxy)phenyl]pyridazin-3-amine
CID 113386764
4-(1,10-phenanthrolin-2-ylamino)benzonitrile
CID 166633042
4-(4-iodoanilino)benzonitrile
CID 28976683
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051334
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
CID 83266611
4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]benzonitrile
CID 56778506
2-anilinopyridine-4-carbonitrile
CID 24696970
4-[[5-(3-methylanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112962044
4-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906255

Frequently Asked Questions

What is the IUPAC name of 4-(pyridazin-3-ylamino)benzonitrile?
The IUPAC name of 4-(pyridazin-3-ylamino)benzonitrile (CID 10797938) is 4-(pyridazin-3-ylamino)benzonitrile.
What is the SMILES notation for 4-(pyridazin-3-ylamino)benzonitrile?
The canonical SMILES for 4-(pyridazin-3-ylamino)benzonitrile is N#Cc1ccc(Nc2cccnn2)cc1.
What is the InChIKey of 4-(pyridazin-3-ylamino)benzonitrile?
The InChIKey is KYCOQYCXHBMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-8-9-3-5-10(6-4-9)14-11-2-1-7-13-15-11/h1-7H,(H,14,15).
What are the key properties of 4-(pyridazin-3-ylamino)benzonitrile?
4-(pyridazin-3-ylamino)benzonitrile has a molecular weight of 196.21 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridazin-3-ylamino)benzonitrile is sourced from PubChem (CID 10797938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).