5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C15H16ClN5O5 — CID 110509824

IUPAC5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C15H16ClN5O5/c1-3-25-12-6-13(26-4-2)11(21(23)24)5-9(12)7-17-19-10-8-18-20-15(22)14(10)16/h5-8H,3-4H2,1-2H3,(H2,19,20,22)/b17-7-
InChIKeyKYDPBDADNLBAHM-IDUWFGFVSA-N
MW381.78 g/mol
LogP2.57
Rot. Bonds8

About 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 110509824) has the molecular formula C15H16ClN5O5 and a molecular weight of 381.78 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID110509824
Molecular FormulaC15H16ClN5O5
Molecular Weight381.78 g/mol
Exact Mass381.08
IUPAC Name5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C15H16ClN5O5/c1-3-25-12-6-13(26-4-2)11(21(23)24)5-9(12)7-17-19-10-8-18-20-15(22)14(10)16/h5-8H,3-4H2,1-2H3,(H2,19,20,22)/b17-7-
InChIKeyKYDPBDADNLBAHM-IDUWFGFVSA-N
XLogP2.57
TPSA131.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 136786987
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
3-chloro-N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506565
5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538082
2-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787683
5-chloro-4-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 3476263
5-chloro-4-[(2Z)-2-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509782
5-chloro-4-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538073
4-[(Z)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110519104
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506922
5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517530

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 110509824) is 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is KYDPBDADNLBAHM-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H16ClN5O5/c1-3-25-12-6-13(26-4-2)11(21(23)24)5-9(12)7-17-19-10-8-18-20-15(22)14(10)16/h5-8H,3-4H2,1-2H3,(H2,19,20,22)/b17-7-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 381.78 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110509824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).