3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

C19H24N6O — CID 126862595

IUPAC3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3nnccc3C#N)CC2)n1
InChIInChI=1S/C19H24N6O/c1-19(2,3)16-4-5-17(26)25(23-16)13-14-7-10-24(11-8-14)18-15(12-20)6-9-21-22-18/h4-6,9,14H,7-8,10-11,13H2,1-3H3
InChIKeyJAVXLXWWBLSNAF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.12
Rot. Bonds3

About 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 126862595) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID126862595
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3nnccc3C#N)CC2)n1
InChIInChI=1S/C19H24N6O/c1-19(2,3)16-4-5-17(26)25(23-16)13-14-7-10-24(11-8-14)18-15(12-20)6-9-21-22-18/h4-6,9,14H,7-8,10-11,13H2,1-3H3
InChIKeyJAVXLXWWBLSNAF-UHFFFAOYSA-N
XLogP2.12
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[4-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126865517
3-[4-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperazin-1-yl]pyridazine-4-carbonitrile
CID 126914273
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862576
3-[4-(aminomethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80515322
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862544
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862381
6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862656
6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862236
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile (CID 126862595) is 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile is CC(C)(C)c1ccc(=O)n(CC2CCN(c3nnccc3C#N)CC2)n1.
What is the InChIKey of 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is JAVXLXWWBLSNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-19(2,3)16-4-5-17(26)25(23-16)13-14-7-10-24(11-8-14)18-15(12-20)6-9-21-22-18/h4-6,9,14H,7-8,10-11,13H2,1-3H3.
What are the key properties of 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 126862595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).