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

C18H26N4O — CID 143705955

IUPAC4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one
SMILESC=C/C=C\C(=C/C)c1cc(N)c(=O)n(C2CCC(CN)CC2)n1
InChIInChI=1S/C18H26N4O/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/h3-6,11,13,15H,1,7-10,12,19-20H2,2H3/b6-5-,14-4+
InChIKeyBRSDPLFCSORAOC-NDJUKFIMSA-N
MW314.43 g/mol
LogP2.66
Rot. Bonds5

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

4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one (PubChem CID 143705955) has the molecular formula C18H26N4O and a molecular weight of 314.43 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.

Molecular Properties

Compound Name4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one
PubChem CID143705955
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one
SMILESC=C/C=C\C(=C/C)c1cc(N)c(=O)n(C2CCC(CN)CC2)n1
InChIInChI=1S/C18H26N4O/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/h3-6,11,13,15H,1,7-10,12,19-20H2,2H3/b6-5-,14-4+
InChIKeyBRSDPLFCSORAOC-NDJUKFIMSA-N
XLogP2.66
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.66
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 with MolForge

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

Launch Full Analysis

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?
The IUPAC name of 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one (CID 143705955) is 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one.
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?
The canonical SMILES for 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one is C=C/C=C\C(=C/C)c1cc(N)c(=O)n(C2CCC(CN)CC2)n1.
What is the InChIKey of 4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one?
The InChIKey is BRSDPLFCSORAOC-NDJUKFIMSA-N. The full InChI is InChI=1S/C18H26N4O/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/h3-6,11,13,15H,1,7-10,12,19-20H2,2H3/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?
4-amino-2-[4-(aminomethyl)cyclohexyl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridazin-3-one has a molecular weight of 314.43 g/mol, XLogP of 2.66, 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 is sourced from PubChem (CID 143705955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).