N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide

C11H9Cl2N5O2 — CID 166593697

IUPACN'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H9Cl2N5O2/c1-20-7-4-2-6(3-5-7)8(19)17-18-11-15-9(12)14-10(13)16-11/h2-5H,1H3,(H,17,19)(H,14,15,16,18)
InChIKeyCHINFECWSFUFGM-UHFFFAOYSA-N
MW314.13 g/mol
LogP1.94
Rot. Bonds4

About N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide

N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide (PubChem CID 166593697) has the molecular formula C11H9Cl2N5O2 and a molecular weight of 314.13 g/mol. Its IUPAC name is N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide
PubChem CID166593697
Molecular FormulaC11H9Cl2N5O2
Molecular Weight314.13 g/mol
Exact Mass313.01
IUPAC NameN'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H9Cl2N5O2/c1-20-7-4-2-6(3-5-7)8(19)17-18-11-15-9(12)14-10(13)16-11/h2-5H,1H3,(H,17,19)(H,14,15,16,18)
InChIKeyCHINFECWSFUFGM-UHFFFAOYSA-N
XLogP1.94
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-benzhydrylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]-4-methoxybenzohydrazide
CID 165416976
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
CID 102136458
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
N-(3,5-dichloro-2,6-difluoro-4-pyridinyl)-4-methoxybenzamide
CID 175345208
N'-[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22535357
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide (CID 166593697) is N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide?
The InChIKey is CHINFECWSFUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N5O2/c1-20-7-4-2-6(3-5-7)8(19)17-18-11-15-9(12)14-10(13)16-11/h2-5H,1H3,(H,17,19)(H,14,15,16,18).
What are the key properties of N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide?
N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide has a molecular weight of 314.13 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methoxybenzohydrazide is sourced from PubChem (CID 166593697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).