3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile

C13H19N5 — CID 106641792

IUPAC3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCCN(CC1CCCCN1)c1nnccc1C#N
InChIInChI=1S/C13H19N5/c1-2-18(10-12-5-3-4-7-15-12)13-11(9-14)6-8-16-17-13/h6,8,12,15H,2-5,7,10H2,1H3
InChIKeyJHYBCOOOQNKUHF-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.32
Rot. Bonds4

About 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile

3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile (PubChem CID 106641792) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
PubChem CID106641792
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
SMILESCCN(CC1CCCCN1)c1nnccc1C#N
InChIInChI=1S/C13H19N5/c1-2-18(10-12-5-3-4-7-15-12)13-11(9-14)6-8-16-17-13/h6,8,12,15H,2-5,7,10H2,1H3
InChIKeyJHYBCOOOQNKUHF-UHFFFAOYSA-N
XLogP1.32
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
2-[ethyl(piperidin-2-ylmethyl)amino]-5-fluorobenzonitrile
CID 106641641
2-[ethyl(piperidin-2-ylmethyl)amino]-5-nitropyridine-3-carbonitrile
CID 106641549
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
3-chloro-4-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641555
5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
2-bromo-6-[ethyl(piperidin-2-ylmethyl)amino]benzonitrile
CID 106641728
5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
CID 106642345
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile (CID 106641792) is 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile is CCN(CC1CCCCN1)c1nnccc1C#N.
What is the InChIKey of 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is JHYBCOOOQNKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-18(10-12-5-3-4-7-15-12)13-11(9-14)6-8-16-17-13/h6,8,12,15H,2-5,7,10H2,1H3.
What are the key properties of 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile?
3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106641792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).