4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene

C24H31ClN4O — CID 143705954

IUPAC4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene
SMILESC=C/C=C\C(=C/C)c1cc(N)c(=O)n(C2CCC(CN)CC2)n1.Clc1ccccc1
InChIInChI=1S/C18H26N4O.C6H5Cl/c1-3-5-6-14(4-2)17-11-16(20)18(23)22(21-17)15-9-7-13(12-19)8-10-15;7-6-4-2-1-3-5-6/h3-6,11,13,15H,1,7-10,12,19-20H2,2H3;1-5H/b6-5-,14-4+;
InChIKeyVOMYSQDUUGBLDQ-NHRISWHCSA-N
MW426.99 g/mol
LogP5.00
Rot. Bonds5

About 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene

4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene (PubChem CID 143705954) has the molecular formula C24H31ClN4O and a molecular weight of 426.99 g/mol. Its IUPAC name is 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene.

Molecular Properties

Compound Name4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene
PubChem CID143705954
Molecular FormulaC24H31ClN4O
Molecular Weight426.99 g/mol
Exact Mass426.22
IUPAC Name4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene
SMILESC=C/C=C\C(=C/C)c1cc(N)c(=O)n(C2CCC(CN)CC2)n1.Clc1ccccc1
InChIInChI=1S/C18H26N4O.C6H5Cl/c1-3-5-6-14(4-2)17-11-16(20)18(23)22(21-17)15-9-7-13(12-19)8-10-15;7-6-4-2-1-3-5-6/h3-6,11,13,15H,1,7-10,12,19-20H2,2H3;1-5H/b6-5-,14-4+;
InChIKeyVOMYSQDUUGBLDQ-NHRISWHCSA-N
XLogP5.00
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one
CID 143705955
2-[4-(aminomethyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carboxamide
CID 143706047
3-chloroaniline;cyclopropylmethanamine
CID 69484094
6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one
CID 143706082
2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 89354073
N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine
CID 143706089
1-[3-[[4-(aminomethyl)cyclohexyl]amino]propyl]-5-methylidenepyrrolidin-2-one;chlorobenzene
CID 143705761
chlorobenzene;(4-methylcyclohexyl)methanamine;2-methylprop-1-ene;3-propylpyridazine
CID 143705833
4-[(4-chlorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phthalazin-1-one
CID 110186118
6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
CID 65347463
4-[(4-chlorophenyl)methyl]-2-[1-(3-hydroxypropyl)piperidin-4-yl]phthalazin-1-one
CID 110187764
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-oxo-6-phenylpyridazine-4-carbohydrazide
CID 69095899

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene?
The IUPAC name of 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene (CID 143705954) is 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene.
What is the SMILES notation for 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene?
The canonical SMILES for 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene is C=C/C=C\C(=C/C)c1cc(N)c(=O)n(C2CCC(CN)CC2)n1.Clc1ccccc1.
What is the InChIKey of 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene?
The InChIKey is VOMYSQDUUGBLDQ-NHRISWHCSA-N. The full InChI is InChI=1S/C18H26N4O.C6H5Cl/c1-3-5-6-14(4-2)17-11-16(20)18(23)22(21-17)15-9-7-13(12-19)8-10-15;7-6-4-2-1-3-5-6/h3-6,11,13,15H,1,7-10,12,19-20H2,2H3;1-5H/b6-5-,14-4+;.
What are the key properties of 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene?
4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene has a molecular weight of 426.99 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one;chlorobenzene is sourced from PubChem (CID 143705954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).