(2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide

C15H19N7O2 — CID 143090983

IUPAC(2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide
SMILES[H]/N=N/N=C(N)[C@@H](N)Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1
InChIInChI=1S/C15H19N7O2/c1-22-15(23)13(12(24-2)8-19-22)10-5-3-9(4-6-10)7-11(16)14(17)20-21-18/h3-6,8,11H,7,16H2,1-2H3,(H3,17,18,20)/t11-/m0/s1
InChIKeyGUPAETAVIMSGJD-NSHDSACASA-N
MW329.36 g/mol
LogP0.63
Rot. Bonds6

About (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide

(2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide (PubChem CID 143090983) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide.

Molecular Properties

Compound Name(2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide
PubChem CID143090983
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide
SMILES[H]/N=N/N=C(N)[C@@H](N)Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1
InChIInChI=1S/C15H19N7O2/c1-22-15(23)13(12(24-2)8-19-22)10-5-3-9(4-6-10)7-11(16)14(17)20-21-18/h3-6,8,11H,7,16H2,1-2H3,(H3,17,18,20)/t11-/m0/s1
InChIKeyGUPAETAVIMSGJD-NSHDSACASA-N
XLogP0.63
TPSA144.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide 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

(2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-[(2,4,6-trimethylphenyl)methoxycarbonylamino]propanoic acid
CID 11225370
(2S)-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]-2-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 11442887
(2S)-2-[[2-(dimethylamino)ethyl-ethylcarbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 11453608
(2S)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)carbamoylamino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 11352089
(2S)-2-[(2-chloro-5-fluorobenzoyl)amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 11385630
2-[butanoyl-(3-methylpyrrol-1-yl)amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 90801186
(2S)-2-[[ethyl(naphthalen-1-yl)carbamoyl]amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 11191247
2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114646649
(2S)-2-[(2,6-dichlorobenzenecarbothioyl)amino]-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid;2-[(3,5-dichloropyridine-4-carbonyl)amino]-3-[4-(5-hydroxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
CID 176713312
2-hydroxyethyl (2S)-3-[4-[2-(2-hydroxyethyl)-5-methoxy-3-oxopyridazin-4-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11352023
methyl (2S)-2-amino-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate
CID 69336975
ethane;methyl 3-[4-[2-methyl-3-oxo-5-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]pyridazin-4-yl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 176980969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide?
The IUPAC name of (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide (CID 143090983) is (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide.
What is the SMILES notation for (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide?
The canonical SMILES for (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide is [H]/N=N/N=C(N)[C@@H](N)Cc1ccc(-c2c(OC)cnn(C)c2=O)cc1.
What is the InChIKey of (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide?
The InChIKey is GUPAETAVIMSGJD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N7O2/c1-22-15(23)13(12(24-2)8-19-22)10-5-3-9(4-6-10)7-11(16)14(17)20-21-18/h3-6,8,11H,7,16H2,1-2H3,(H3,17,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide?
(2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide has a molecular weight of 329.36 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N'-diazenyl-3-[4-(5-methoxy-2-methyl-3-oxopyridazin-4-yl)phenyl]propanimidamide is sourced from PubChem (CID 143090983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).