benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene

C24H37N5O — CID 145029065

IUPACbenzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene
SMILESC=CC.CC.CC(CN(C)C)Nc1nn(C)c(=O)c2cccnc12.c1ccccc1
InChIInChI=1S/C13H19N5O.C6H6.C3H6.C2H6/c1-9(8-17(2)3)15-12-11-10(6-5-7-14-11)13(19)18(4)16-12;1-2-4-6-5-3-1;1-3-2;1-2/h5-7,9H,8H2,1-4H3,(H,15,16);1-6H;3H,1H2,2H3;1-2H3
InChIKeyGFBWHGUTJGYTQM-UHFFFAOYSA-N
MW411.59 g/mol
LogP4.60
Rot. Bonds4

About benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene

benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene (PubChem CID 145029065) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene.

Molecular Properties

Compound Namebenzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene
PubChem CID145029065
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC Namebenzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene
SMILESC=CC.CC.CC(CN(C)C)Nc1nn(C)c(=O)c2cccnc12.c1ccccc1
InChIInChI=1S/C13H19N5O.C6H6.C3H6.C2H6/c1-9(8-17(2)3)15-12-11-10(6-5-7-14-11)13(19)18(4)16-12;1-2-4-6-5-3-1;1-3-2;1-2/h5-7,9H,8H2,1-4H3,(H,15,16);1-6H;3H,1H2,2H3;1-2H3
InChIKeyGFBWHGUTJGYTQM-UHFFFAOYSA-N
XLogP4.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-diene;8-[[2-(dimethylamino)-2-phenylethyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029079
8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029081
8-[[(1S,2S)-1-(dimethylamino)-1-(4-propanoylphenyl)propan-2-yl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029213
6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 145029121
benzyl 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]benzoate
CID 118928612
5-N-[1-(dimethylamino)propan-2-yl]quinoline-5,8-diamine
CID 82945198
8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029315
4-[[(1R,2S)-1-(dimethylamino)-1-pyridin-2-ylpropan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928730
6-(4-chlorophenyl)-1-[1-(dimethylamino)propan-2-ylamino]-3-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-4-one;6-(4-chlorophenyl)-4-[1-(dimethylamino)propan-2-ylamino]-2-methyl-7,8-dihydro-5H-pyrido[3,4-d]pyridazin-1-one;ethane
CID 145029123
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
8-[[1-[4-(benzenesulfonyl)phenyl]-1-(dimethylamino)propan-2-yl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one;4-[[(1S,2S)-1-[4-(cyclopropylmethoxy)phenyl]-1-(dimethylamino)propan-2-yl]amino]-2-methylphthalazin-1-one;4-[[(1S,2S)-1-(dimethylamino)-1-(4-phenoxyphenyl)propan-2-yl]amino]-2-methylphthalazin-1-one;4-[[(1S,2S)-1-(dimethylamino)-1-(4-pyridin-2-yloxyphenyl)propan-2-yl]amino]-2-methylphthalazin-1-one
CID 161304956
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474

Frequently Asked Questions

What is the IUPAC name of benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene?
The IUPAC name of benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene (CID 145029065) is benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene.
What is the SMILES notation for benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene?
The canonical SMILES for benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene is C=CC.CC.CC(CN(C)C)Nc1nn(C)c(=O)c2cccnc12.c1ccccc1.
What is the InChIKey of benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene?
The InChIKey is GFBWHGUTJGYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.C6H6.C3H6.C2H6/c1-9(8-17(2)3)15-12-11-10(6-5-7-14-11)13(19)18(4)16-12;1-2-4-6-5-3-1;1-3-2;1-2/h5-7,9H,8H2,1-4H3,(H,15,16);1-6H;3H,1H2,2H3;1-2H3.
What are the key properties of benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene?
benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene has a molecular weight of 411.59 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene is sourced from PubChem (CID 145029065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).