3-(hexan-3-ylamino)pyridazine-4-carbonitrile

C11H16N4 — CID 80509692

IUPAC3-(hexan-3-ylamino)pyridazine-4-carbonitrile
SMILESCCCC(CC)Nc1nnccc1C#N
InChIInChI=1S/C11H16N4/c1-3-5-10(4-2)14-11-9(8-12)6-7-13-15-11/h6-7,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyNNGFGMOSIMKQLD-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.34
Rot. Bonds5

About 3-(hexan-3-ylamino)pyridazine-4-carbonitrile

3-(hexan-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 80509692) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(hexan-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(hexan-3-ylamino)pyridazine-4-carbonitrile
PubChem CID80509692
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-(hexan-3-ylamino)pyridazine-4-carbonitrile
SMILESCCCC(CC)Nc1nnccc1C#N
InChIInChI=1S/C11H16N4/c1-3-5-10(4-2)14-11-9(8-12)6-7-13-15-11/h6-7,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyNNGFGMOSIMKQLD-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hexan-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(hexan-3-ylamino)pyridazine-4-carbonitrile (CID 80509692) is 3-(hexan-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(hexan-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(hexan-3-ylamino)pyridazine-4-carbonitrile is CCCC(CC)Nc1nnccc1C#N.
What is the InChIKey of 3-(hexan-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is NNGFGMOSIMKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-5-10(4-2)14-11-9(8-12)6-7-13-15-11/h6-7,10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-(hexan-3-ylamino)pyridazine-4-carbonitrile?
3-(hexan-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexan-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).