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

C14H21N5 — CID 106641449

IUPAC3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCC(C)N(CC1CCCCN1)c1nnccc1C#N
InChIInChI=1S/C14H21N5/c1-11(2)19(10-13-5-3-4-7-16-13)14-12(9-15)6-8-17-18-14/h6,8,11,13,16H,3-5,7,10H2,1-2H3
InChIKeyLJVXFOYZYCUKPY-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.71
Rot. Bonds4

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

3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile (PubChem CID 106641449) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
PubChem CID106641449
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCC(C)N(CC1CCCCN1)c1nnccc1C#N
InChIInChI=1S/C14H21N5/c1-11(2)19(10-13-5-3-4-7-16-13)14-12(9-15)6-8-17-18-14/h6,8,11,13,16H,3-5,7,10H2,1-2H3
InChIKeyLJVXFOYZYCUKPY-UHFFFAOYSA-N
XLogP1.71
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(piperidin-2-ylmethyl)amino]pyridazine-4-carbonitrile
CID 106641792
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
CID 106641480
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
2-bromo-3-fluoro-4-[piperidin-2-ylmethyl(propan-2-yl)amino]benzonitrile
CID 107537807
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
3-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 107111521
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106618773
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile (CID 106641449) is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile is CC(C)N(CC1CCCCN1)c1nnccc1C#N.
What is the InChIKey of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is LJVXFOYZYCUKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)19(10-13-5-3-4-7-16-13)14-12(9-15)6-8-17-18-14/h6,8,11,13,16H,3-5,7,10H2,1-2H3.
What are the key properties of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile?
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106641449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).