[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine

C11H14ClN5 — CID 35754979

IUPAC[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCn1c(CCc2cccc(Cl)c2)nnc1NN
InChIInChI=1S/C11H14ClN5/c1-17-10(15-16-11(17)14-13)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6,13H2,1H3,(H,14,16)
InChIKeyJBGSMPBJKQEDFF-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.54
Rot. Bonds4

About [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine

[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754979) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754979
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCn1c(CCc2cccc(Cl)c2)nnc1NN
InChIInChI=1S/C11H14ClN5/c1-17-10(15-16-11(17)14-13)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6,13H2,1H3,(H,14,16)
InChIKeyJBGSMPBJKQEDFF-UHFFFAOYSA-N
XLogP1.54
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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3-chloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]aniline
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[(E)-4-(3-chlorophenyl)butan-2-ylideneamino]urea
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methyl 2-amino-5-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylate
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N-[3-(3-chlorophenyl)propoxy]methanamine
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2-(3-chlorophenyl)ethylurea
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2-[2-(3-chlorophenyl)ethyl]-1-ethylguanidine
CID 111031390
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 82296139
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-[2-(3-chlorophenyl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylsulfanylpropyl)guanidine
CID 111842384

Frequently Asked Questions

What is the IUPAC name of [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (CID 35754979) is [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is Cn1c(CCc2cccc(Cl)c2)nnc1NN.
What is the InChIKey of [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is JBGSMPBJKQEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-17-10(15-16-11(17)14-13)6-5-8-3-2-4-9(12)7-8/h2-4,7H,5-6,13H2,1H3,(H,14,16).
What are the key properties of [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
[5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 251.72 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-chlorophenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).