[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine

C11H15N5 — CID 105254632

IUPAC[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
SMILESCCc1cccc(C(NN)c2cn[nH]n2)c1
InChIInChI=1S/C11H15N5/c1-2-8-4-3-5-9(6-8)11(14-12)10-7-13-16-15-10/h3-7,11,14H,2,12H2,1H3,(H,13,15,16)
InChIKeyPCUIUTLPQXJNBX-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.92
Rot. Bonds4

About [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine

[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine (PubChem CID 105254632) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
PubChem CID105254632
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
SMILESCCc1cccc(C(NN)c2cn[nH]n2)c1
InChIInChI=1S/C11H15N5/c1-2-8-4-3-5-9(6-8)11(14-12)10-7-13-16-15-10/h3-7,11,14H,2,12H2,1H3,(H,13,15,16)
InChIKeyPCUIUTLPQXJNBX-UHFFFAOYSA-N
XLogP0.92
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924271
[(3-ethylphenyl)-(3-iodophenyl)methyl]hydrazine
CID 105326224
[(3-ethylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105326216
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218
[(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
CID 107130852
3-[(3-ethylphenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105326250
[(3-ethylphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190750
[(3-ethylphenyl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105326300
[2-phenyl-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 105254603
[(2,5-dibromophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326320
[(2,5-difluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105219304
[(5-bromo-2-fluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105280590

Frequently Asked Questions

What is the IUPAC name of [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine (CID 105254632) is [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine is CCc1cccc(C(NN)c2cn[nH]n2)c1.
What is the InChIKey of [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
The InChIKey is PCUIUTLPQXJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-8-4-3-5-9(6-8)11(14-12)10-7-13-16-15-10/h3-7,11,14H,2,12H2,1H3,(H,13,15,16).
What are the key properties of [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine?
[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine has a molecular weight of 217.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105254632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).