(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone

C15H24N4O — CID 109111042

IUPAC(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
SMILESCC(C)CNc1ccc(C(=O)N2CCCC(C)C2)nn1
InChIInChI=1S/C15H24N4O/c1-11(2)9-16-14-7-6-13(17-18-14)15(20)19-8-4-5-12(3)10-19/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,16,18)
InChIKeyAYIZIIIAUGEFLQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.42
Rot. Bonds4

About (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone

(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone (PubChem CID 109111042) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
PubChem CID109111042
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
SMILESCC(C)CNc1ccc(C(=O)N2CCCC(C)C2)nn1
InChIInChI=1S/C15H24N4O/c1-11(2)9-16-14-7-6-13(17-18-14)15(20)19-8-4-5-12(3)10-19/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,16,18)
InChIKeyAYIZIIIAUGEFLQ-UHFFFAOYSA-N
XLogP2.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126078
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200594
(4-methylpiperidin-1-yl)-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109406
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone (CID 109111042) is (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone is CC(C)CNc1ccc(C(=O)N2CCCC(C)C2)nn1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
The InChIKey is AYIZIIIAUGEFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)9-16-14-7-6-13(17-18-14)15(20)19-8-4-5-12(3)10-19/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,16,18).
What are the key properties of (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109111042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).