[(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine

C13H18ClN5O — CID 112744920

IUPAC[(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)c1ncnn1C(C)C
InChIInChI=1S/C13H18ClN5O/c1-8(2)19-13(16-7-17-19)12(18-15)10-6-9(14)4-5-11(10)20-3/h4-8,12,18H,15H2,1-3H3
InChIKeyRQBXHTSAXZOODD-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.07
Rot. Bonds5

About [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine

[(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine (PubChem CID 112744920) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine
PubChem CID112744920
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name[(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)c1ncnn1C(C)C
InChIInChI=1S/C13H18ClN5O/c1-8(2)19-13(16-7-17-19)12(18-15)10-6-9(14)4-5-11(10)20-3/h4-8,12,18H,15H2,1-3H3
InChIKeyRQBXHTSAXZOODD-UHFFFAOYSA-N
XLogP2.07
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191297
[(5-chloro-2-methoxyphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190998
[(5-chloro-2-methoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 105300843
[(5-chloro-2-methoxyphenyl)-(4-ethylsulfanylphenyl)methyl]hydrazine
CID 106850431
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
[(5-chloro-2-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307007
[(5-chloro-2-methoxyphenyl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105300853
[(3-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methyl]hydrazine
CID 105300924
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105207718
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 62791218
[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105252746

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine?
The IUPAC name of [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine (CID 112744920) is [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine is COc1ccc(Cl)cc1C(NN)c1ncnn1C(C)C.
What is the InChIKey of [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine?
The InChIKey is RQBXHTSAXZOODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8(2)19-13(16-7-17-19)12(18-15)10-6-9(14)4-5-11(10)20-3/h4-8,12,18H,15H2,1-3H3.
What are the key properties of [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine?
[(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine has a molecular weight of 295.77 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-methoxyphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 112744920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).