3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile

C11H10N6 — CID 176928271

IUPAC3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H10N6/c12-5-8-1-3-15-16-11(8)17-4-2-9-10(6-17)14-7-13-9/h1,3,7H,2,4,6H2,(H,13,14)
InChIKeyGKEMDGSGWQUPME-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.63
Rot. Bonds1

About 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile

3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile (PubChem CID 176928271) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile
PubChem CID176928271
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCc2nc[nH]c2C1
InChIInChI=1S/C11H10N6/c12-5-8-1-3-15-16-11(8)17-4-2-9-10(6-17)14-7-13-9/h1,3,7H,2,4,6H2,(H,13,14)
InChIKeyGKEMDGSGWQUPME-UHFFFAOYSA-N
XLogP0.63
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile
CID 118711843
5-{[2-(Propylamino)pyrimidin-5-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 129621167
3-[1H-imidazol-2-ylmethyl(methyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 132376690
5-(Piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 22390483
3,5,8,10,11-Pentazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene
CID 67966782
1,4,8,13-Tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 122538410
Ethane;1,4,8,13-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 145182664
2-[(1S)-1-(chloroamino)ethyl]imidazo[1,2-b]pyridazine-7-carbonitrile
CID 166825140
4-(4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 168150640
2-(2-Methylimidazo[1,2-b]pyridazin-8-yl)acetonitrile
CID 168227147
3-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-5-yl)imidazo[1,2-b]pyridazine
CID 177903741
5-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72838613

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile?
The IUPAC name of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile (CID 176928271) is 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCc2nc[nH]c2C1.
What is the InChIKey of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile?
The InChIKey is GKEMDGSGWQUPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-5-8-1-3-15-16-11(8)17-4-2-9-10(6-17)14-7-13-9/h1,3,7H,2,4,6H2,(H,13,14).
What are the key properties of 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile?
3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 176928271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).