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

C11H14N4O — CID 80510609

IUPAC3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CCCCO1
InChIInChI=1S/C11H14N4O/c12-7-9-4-5-14-15-11(9)13-8-10-3-1-2-6-16-10/h4-5,10H,1-3,6,8H2,(H,13,15)
InChIKeyQGPWBQKBDUYSQY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.33
Rot. Bonds3

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

3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 80510609) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID80510609
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1CCCCO1
InChIInChI=1S/C11H14N4O/c12-7-9-4-5-14-15-11(9)13-8-10-3-1-2-6-16-10/h4-5,10H,1-3,6,8H2,(H,13,15)
InChIKeyQGPWBQKBDUYSQY-UHFFFAOYSA-N
XLogP1.33
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510404
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
4-methyl-2-(oxan-2-ylmethylamino)benzonitrile
CID 62307968
3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carbonitrile
CID 106494343
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80515476

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile (CID 80510609) is 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is QGPWBQKBDUYSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-7-9-4-5-14-15-11(9)13-8-10-3-1-2-6-16-10/h4-5,10H,1-3,6,8H2,(H,13,15).
What are the key properties of 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile?
3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).