2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol

C17H14ClN5O2 — CID 7204035

IUPAC2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccccc1-c1cnnc(N/N=C\c2cccc(O)c2Cl)n1
InChIInChI=1S/C17H14ClN5O2/c1-25-15-8-3-2-6-12(15)13-10-20-23-17(21-13)22-19-9-11-5-4-7-14(24)16(11)18/h2-10,24H,1H3,(H,21,22,23)/b19-9-
InChIKeyIJPCLUAFRRJWHM-OCKHKDLRSA-N
MW355.79 g/mol
LogP3.35
Rot. Bonds5

About 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol

2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (PubChem CID 7204035) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
PubChem CID7204035
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
SMILESCOc1ccccc1-c1cnnc(N/N=C\c2cccc(O)c2Cl)n1
InChIInChI=1S/C17H14ClN5O2/c1-25-15-8-3-2-6-12(15)13-10-20-23-17(21-13)22-19-9-11-5-4-7-14(24)16(11)18/h2-10,24H,1H3,(H,21,22,23)/b19-9-
InChIKeyIJPCLUAFRRJWHM-OCKHKDLRSA-N
XLogP3.35
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135435636
4-bromo-3-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 171987774
2-[2-methoxy-6-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7765817
[5-bromo-2-methoxy-4-[(E)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenyl] acetate
CID 45037629
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
4-chloro-2-[(E)-[[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol
CID 135588733
2-chloro-3-[(E)-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 45037627
4-(2-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536567
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
3-[(Z)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 6410114
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-5-phenyl-1,2,4-triazin-3-amine
CID 6410123
2-ethoxy-4-[(E)-[(5-phenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenol
CID 135439780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol (CID 7204035) is 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is COc1ccccc1-c1cnnc(N/N=C\c2cccc(O)c2Cl)n1.
What is the InChIKey of 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
The InChIKey is IJPCLUAFRRJWHM-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-25-15-8-3-2-6-12(15)13-10-20-23-17(21-13)22-19-9-11-5-4-7-14(24)16(11)18/h2-10,24H,1H3,(H,21,22,23)/b19-9-.
What are the key properties of 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol?
2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol has a molecular weight of 355.79 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(Z)-[[5-(2-methoxyphenyl)-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 7204035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).