3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile

C10H12N4O2 — CID 80510404

IUPAC3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1COCCO1
InChIInChI=1S/C10H12N4O2/c11-5-8-1-2-13-14-10(8)12-6-9-7-15-3-4-16-9/h1-2,9H,3-4,6-7H2,(H,12,14)
InChIKeyGNYNPSYLIVFXCP-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.18
Rot. Bonds3

About 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile

3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile (PubChem CID 80510404) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile
PubChem CID80510404
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC1COCCO1
InChIInChI=1S/C10H12N4O2/c11-5-8-1-2-13-14-10(8)12-6-9-7-15-3-4-16-9/h1-2,9H,3-4,6-7H2,(H,12,14)
InChIKeyGNYNPSYLIVFXCP-UHFFFAOYSA-N
XLogP0.18
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxan-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80510609
6-(1,4-dioxan-2-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471345
2-(1,4-dioxan-2-ylmethylamino)pyridine-3-carbothioamide
CID 54908353
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyridazine-4-carbonitrile
CID 80509990
2-(1,4-dioxan-2-ylmethylamino)pyridine-4-carbothioamide
CID 54908352
3-(1,4-dioxan-2-ylmethylamino)benzonitrile
CID 102815503
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509420
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787175
N-(1,4-dioxan-2-ylmethyl)-4-methylphthalazin-1-amine
CID 54893517
5-(1,4-dioxan-2-ylmethylamino)pyridine-2-carbothioamide
CID 115488292

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile (CID 80510404) is 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC1COCCO1.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile?
The InChIKey is GNYNPSYLIVFXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-5-8-1-2-13-14-10(8)12-6-9-7-15-3-4-16-9/h1-2,9H,3-4,6-7H2,(H,12,14).
What are the key properties of 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile?
3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).