4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one

C15H16ClN5O4 — CID 7232443

IUPAC4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
SMILESCC(C)Oc1ccc(C=NNc2c([N+](=O)[O-])nn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C15H16ClN5O4/c1-9(2)25-11-6-4-10(5-7-11)8-17-18-13-12(16)15(22)20(3)19-14(13)21(23)24/h4-9,18H,1-3H3
InChIKeySZCHPLKZRYIPBI-UHFFFAOYSA-N
MW365.78 g/mol
LogP2.58
Rot. Bonds6

About 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one

4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one (PubChem CID 7232443) has the molecular formula C15H16ClN5O4 and a molecular weight of 365.78 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
PubChem CID7232443
Molecular FormulaC15H16ClN5O4
Molecular Weight365.78 g/mol
Exact Mass365.09
IUPAC Name4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
SMILESCC(C)Oc1ccc(C=NNc2c([N+](=O)[O-])nn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C15H16ClN5O4/c1-9(2)25-11-6-4-10(5-7-11)8-17-18-13-12(16)15(22)20(3)19-14(13)21(23)24/h4-9,18H,1-3H3
InChIKeySZCHPLKZRYIPBI-UHFFFAOYSA-N
XLogP2.58
TPSA111.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 52.58
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one (CID 7232443) is 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one is CC(C)Oc1ccc(C=NNc2c([N+](=O)[O-])nn(C)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
The InChIKey is SZCHPLKZRYIPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O4/c1-9(2)25-11-6-4-10(5-7-11)8-17-18-13-12(16)15(22)20(3)19-14(13)21(23)24/h4-9,18H,1-3H3.
What are the key properties of 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one?
4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one has a molecular weight of 365.78 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-nitro-5-[2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]pyridazin-3-one is sourced from PubChem (CID 7232443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).