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

C14H23N5O — CID 109110976

IUPAC(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
SMILESCC(C)CNc1ccc(C(=O)N2CCN(C)CC2)nn1
InChIInChI=1S/C14H23N5O/c1-11(2)10-15-13-5-4-12(16-17-13)14(20)19-8-6-18(3)7-9-19/h4-5,11H,6-10H2,1-3H3,(H,15,17)
InChIKeyVOLRADNDQWMVPJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.93
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone

(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone (PubChem CID 109110976) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
PubChem CID109110976
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
SMILESCC(C)CNc1ccc(C(=O)N2CCN(C)CC2)nn1
InChIInChI=1S/C14H23N5O/c1-11(2)10-15-13-5-4-12(16-17-13)14(20)19-8-6-18(3)7-9-19/h4-5,11H,6-10H2,1-3H3,(H,15,17)
InChIKeyVOLRADNDQWMVPJ-UHFFFAOYSA-N
XLogP0.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109361943
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200335
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
6-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109110974
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109124705
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methylbutylamino)pyridazin-3-yl]methanone
CID 109123993
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone (CID 109110976) is (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone is CC(C)CNc1ccc(C(=O)N2CCN(C)CC2)nn1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
The InChIKey is VOLRADNDQWMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)10-15-13-5-4-12(16-17-13)14(20)19-8-6-18(3)7-9-19/h4-5,11H,6-10H2,1-3H3,(H,15,17).
What are the key properties of (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109110976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).