3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile

C15H22N4 — CID 80510085

IUPAC3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
SMILESCC(C)CCN(c1nnccc1C#N)C1CCCC1
InChIInChI=1S/C15H22N4/c1-12(2)8-10-19(14-5-3-4-6-14)15-13(11-16)7-9-17-18-15/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyVBQJRBJTIPQVDD-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.14
Rot. Bonds5

About 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile

3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510085) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
PubChem CID80510085
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
SMILESCC(C)CCN(c1nnccc1C#N)C1CCCC1
InChIInChI=1S/C15H22N4/c1-12(2)8-10-19(14-5-3-4-6-14)15-13(11-16)7-9-17-18-15/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyVBQJRBJTIPQVDD-UHFFFAOYSA-N
XLogP3.14
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
3-[cyclobutyl(3-hydroxypropyl)amino]pyridazine-4-carbonitrile
CID 102862313
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzonitrile
CID 104716929
3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
CID 80516550
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
4-(aminomethyl)-N-cyclopentyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80509004
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
3-[butan-2-yl(butyl)amino]pyridazine-4-carbonitrile
CID 80510513
2-[cyclopropyl(propyl)amino]pyridine-3-carbonitrile
CID 43270562
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
CID 78918805

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile (CID 80510085) is 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile is CC(C)CCN(c1nnccc1C#N)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile?
The InChIKey is VBQJRBJTIPQVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)8-10-19(14-5-3-4-6-14)15-13(11-16)7-9-17-18-15/h7,9,12,14H,3-6,8,10H2,1-2H3.
What are the key properties of 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile?
3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).