3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C16H24N4 — CID 80509527

IUPAC3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCC(C)C2C)c(C#N)c1CC
InChIInChI=1S/C16H24N4/c1-5-12-13(9-17)16(20-19-14(12)6-2)18-15-8-7-10(3)11(15)4/h10-11,15H,5-8H2,1-4H3,(H,18,20)
InChIKeyIHZFXBFUZXSESA-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.32
Rot. Bonds4

About 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80509527) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80509527
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NC2CCC(C)C2C)c(C#N)c1CC
InChIInChI=1S/C16H24N4/c1-5-12-13(9-17)16(20-19-14(12)6-2)18-15-8-7-10(3)11(15)4/h10-11,15H,5-8H2,1-4H3,(H,18,20)
InChIKeyIHZFXBFUZXSESA-UHFFFAOYSA-N
XLogP3.32
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,3-dimethylcyclohexyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80508506
5,6-diethyl-3-[(2-methoxycyclopentyl)amino]pyridazine-4-carbonitrile
CID 80509599
5,6-diethyl-3-(piperidin-3-ylamino)pyridazine-4-carbonitrile
CID 80515330
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
3-[(2-cyclopropyloxan-4-yl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 133473624
5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 106130804
5,6-diethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
CID 80501749
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
3-[(2-amino-1-cyclopentylethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 106738206

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 80509527) is 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NC2CCC(C)C2C)c(C#N)c1CC.
What is the InChIKey of 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is IHZFXBFUZXSESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-12-13(9-17)16(20-19-14(12)6-2)18-15-8-7-10(3)11(15)4/h10-11,15H,5-8H2,1-4H3,(H,18,20).
What are the key properties of 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclopentyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80509527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).