3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile

C17H22N4 — CID 80508739

IUPAC3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile
SMILESCC(Nc1nnccc1C#N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N4/c1-11(20-16-15(10-18)2-3-19-21-16)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,11-14H,4-9H2,1H3,(H,20,21)
InChIKeyLBTPKXVZJNKQHF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.37
Rot. Bonds3

About 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile

3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 80508739) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile
PubChem CID80508739
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile
SMILESCC(Nc1nnccc1C#N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N4/c1-11(20-16-15(10-18)2-3-19-21-16)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,11-14H,4-9H2,1H3,(H,20,21)
InChIKeyLBTPKXVZJNKQHF-UHFFFAOYSA-N
XLogP3.37
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
3-(3-methylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80509239
3-[1-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80516551
3-[(1-amino-4-methylpentan-2-yl)amino]pyridazine-4-carbonitrile
CID 80515024
3-(hexan-3-ylamino)pyridazine-4-carbonitrile
CID 80509692
3-(4-phenylbutan-2-ylamino)pyridazine-4-carbonitrile
CID 80510445
N-[1-(1-adamantyl)ethyl]-5-bromopyrimidin-4-amine
CID 66342762
N-[1-(1-adamantyl)ethyl]-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
CID 169452378
3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
CID 80510343
2-[(4-cyanopyridazin-3-yl)amino]-2-cyclopropylacetic acid
CID 80508464
5-[1-(1-adamantyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79370771
N-[1-(1-adamantyl)ethyl]-3,6-dichloro-1,2,4-triazin-5-amine
CID 81037312

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile (CID 80508739) is 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile is CC(Nc1nnccc1C#N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is LBTPKXVZJNKQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(20-16-15(10-18)2-3-19-21-16)17-7-12-4-13(8-17)6-14(5-12)9-17/h2-3,11-14H,4-9H2,1H3,(H,20,21).
What are the key properties of 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile?
3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-adamantyl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80508739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).