3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile

C11H15N5 — CID 80515109

IUPAC3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CCCCN1
InChIInChI=1S/C11H15N5/c12-7-9-4-6-15-16-11(9)14-8-10-3-1-2-5-13-10/h4,6,10,13H,1-3,5,8H2,(H,14,16)
InChIKeyLKKXZGTYQYXBLO-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.90
Rot. Bonds3

About 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile

3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 80515109) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID80515109
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CCCCN1
InChIInChI=1S/C11H15N5/c12-7-9-4-6-15-16-11(9)14-8-10-3-1-2-5-13-10/h4,6,10,13H,1-3,5,8H2,(H,14,16)
InChIKeyLKKXZGTYQYXBLO-UHFFFAOYSA-N
XLogP0.90
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
6,7-difluoro-2-[[(2S)-piperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 67090654
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80515476
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile (CID 80515109) is 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC1CCCCN1.
What is the InChIKey of 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is LKKXZGTYQYXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-7-9-4-6-15-16-11(9)14-8-10-3-1-2-5-13-10/h4,6,10,13H,1-3,5,8H2,(H,14,16).
What are the key properties of 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile?
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80515109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).