6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile

C16H24N4 — CID 133420728

IUPAC6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C1CCC(CNc2ccc(C#N)nn2)CC1
InChIInChI=1S/C16H24N4/c1-16(2,3)13-6-4-12(5-7-13)11-18-15-9-8-14(10-17)19-20-15/h8-9,12-13H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyXTIVJXAUBNANQS-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.61
Rot. Bonds3

About 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile

6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile (PubChem CID 133420728) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile
PubChem CID133420728
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C1CCC(CNc2ccc(C#N)nn2)CC1
InChIInChI=1S/C16H24N4/c1-16(2,3)13-6-4-12(5-7-13)11-18-15-9-8-14(10-17)19-20-15/h8-9,12-13H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyXTIVJXAUBNANQS-UHFFFAOYSA-N
XLogP3.61
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile (CID 133420728) is 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile is CC(C)(C)C1CCC(CNc2ccc(C#N)nn2)CC1.
What is the InChIKey of 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile?
The InChIKey is XTIVJXAUBNANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2,3)13-6-4-12(5-7-13)11-18-15-9-8-14(10-17)19-20-15/h8-9,12-13H,4-7,11H2,1-3H3,(H,18,20).
What are the key properties of 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile?
6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butylcyclohexyl)methylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133420728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).