[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine

C9H16N8 — CID 105254865

IUPAC[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1cn[nH]n1
InChIInChI=1S/C9H16N8/c1-2-3-17-9(11-6-13-17)4-7(14-10)8-5-12-16-15-8/h5-7,14H,2-4,10H2,1H3,(H,12,15,16)
InChIKeyMKVKAIKABZCKNF-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.45
Rot. Bonds6

About [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine

[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine (PubChem CID 105254865) has the molecular formula C9H16N8 and a molecular weight of 236.28 g/mol. Its IUPAC name is [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
PubChem CID105254865
Molecular FormulaC9H16N8
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1cn[nH]n1
InChIInChI=1S/C9H16N8/c1-2-3-17-9(11-6-13-17)4-7(14-10)8-5-12-16-15-8/h5-7,14H,2-4,10H2,1H3,(H,12,15,16)
InChIKeyMKVKAIKABZCKNF-UHFFFAOYSA-N
XLogP-0.45
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
[1-(4-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319203
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
[1-(4-ethylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106850511
[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319210
[1-(3-fluoro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105257926
[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105265858
[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319130
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethyl]hydrazine
CID 105318475
[1-(3-methoxy-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319092
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144

Frequently Asked Questions

What is the IUPAC name of [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine (CID 105254865) is [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine is CCCn1ncnc1CC(NN)c1cn[nH]n1.
What is the InChIKey of [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine?
The InChIKey is MKVKAIKABZCKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N8/c1-2-3-17-9(11-6-13-17)4-7(14-10)8-5-12-16-15-8/h5-7,14H,2-4,10H2,1H3,(H,12,15,16).
What are the key properties of [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine?
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine has a molecular weight of 236.28 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105254865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).