2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile

C9H10N4 — CID 82411396

IUPAC2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile
SMILESN#CCC1NCCc2nnccc21
InChIInChI=1S/C9H10N4/c10-4-1-8-7-2-6-12-13-9(7)3-5-11-8/h2,6,8,11H,1,3,5H2
InChIKeyZBUOWRFSQJCOJF-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.58
Rot. Bonds1

About 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile

2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile (PubChem CID 82411396) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile
PubChem CID82411396
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile
SMILESN#CCC1NCCc2nnccc21
InChIInChI=1S/C9H10N4/c10-4-1-8-7-2-6-12-13-9(7)3-5-11-8/h2,6,8,11H,1,3,5H2
InChIKeyZBUOWRFSQJCOJF-UHFFFAOYSA-N
XLogP0.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-ylmethanamine
CID 82414819
2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)ethanamine
CID 82409884
2-(5,6,7,8-tetrahydro-1,7-naphthyridin-8-yl)acetonitrile
CID 82411594
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157147
(1R)-1-but-2-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 118274759
4-[4-(5,6,7,8-tetrahydro-1,6-naphthyridin-5-ylmethyl)phenyl]aniline
CID 15471910
1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 143186331
2-[6-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 172822014
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
1-ethyl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970812
2-(4-chloropyridazin-3-yl)acetonitrile
CID 54339606

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile?
The IUPAC name of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile (CID 82411396) is 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile.
What is the SMILES notation for 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile?
The canonical SMILES for 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile is N#CCC1NCCc2nnccc21.
What is the InChIKey of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile?
The InChIKey is ZBUOWRFSQJCOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-4-1-8-7-2-6-12-13-9(7)3-5-11-8/h2,6,8,11H,1,3,5H2.
What are the key properties of 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile?
2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile has a molecular weight of 174.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-5-yl)acetonitrile is sourced from PubChem (CID 82411396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).