6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one

C16H28N6O — CID 143706082

IUPAC6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one
SMILESCCC/C(N)=C/N(N)c1ccc(=O)n(C2CCC(CN)CC2)n1
InChIInChI=1S/C16H28N6O/c1-2-3-13(18)11-21(19)15-8-9-16(23)22(20-15)14-6-4-12(10-17)5-7-14/h8-9,11-12,14H,2-7,10,17-19H2,1H3/b13-11-
InChIKeyWYSLDMJLNXHBET-QBFSEMIESA-N
MW320.44 g/mol
LogP1.21
Rot. Bonds6

About 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one

6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one (PubChem CID 143706082) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one
PubChem CID143706082
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one
SMILESCCC/C(N)=C/N(N)c1ccc(=O)n(C2CCC(CN)CC2)n1
InChIInChI=1S/C16H28N6O/c1-2-3-13(18)11-21(19)15-8-9-16(23)22(20-15)14-6-4-12(10-17)5-7-14/h8-9,11-12,14H,2-7,10,17-19H2,1H3/b13-11-
InChIKeyWYSLDMJLNXHBET-QBFSEMIESA-N
XLogP1.21
TPSA116.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one (CID 143706082) is 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one is CCC/C(N)=C/N(N)c1ccc(=O)n(C2CCC(CN)CC2)n1.
What is the InChIKey of 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one?
The InChIKey is WYSLDMJLNXHBET-QBFSEMIESA-N. The full InChI is InChI=1S/C16H28N6O/c1-2-3-13(18)11-21(19)15-8-9-16(23)22(20-15)14-6-4-12(10-17)5-7-14/h8-9,11-12,14H,2-7,10,17-19H2,1H3/b13-11-.
What are the key properties of 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one?
6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one has a molecular weight of 320.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-[(Z)-2-aminopent-1-enyl]amino]-2-[4-(aminomethyl)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 143706082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).