5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile

C12H18N4 — CID 39997956

IUPAC5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
SMILESCCC(CC)Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C12H18N4/c1-5-10(6-2)14-12-11(7-13)8(3)9(4)15-16-12/h10H,5-6H2,1-4H3,(H,14,16)
InChIKeyMJTOQAYSPPQQHP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.57
Rot. Bonds4

About 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile (PubChem CID 39997956) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
PubChem CID39997956
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile
SMILESCCC(CC)Nc1nnc(C)c(C)c1C#N
InChIInChI=1S/C12H18N4/c1-5-10(6-2)14-12-11(7-13)8(3)9(4)15-16-12/h10H,5-6H2,1-4H3,(H,14,16)
InChIKeyMJTOQAYSPPQQHP-UHFFFAOYSA-N
XLogP2.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile (CID 39997956) is 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile is CCC(CC)Nc1nnc(C)c(C)c1C#N.
What is the InChIKey of 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
The InChIKey is MJTOQAYSPPQQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-10(6-2)14-12-11(7-13)8(3)9(4)15-16-12/h10H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(pentan-3-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 39997956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).