[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

C13H23N7 — CID 105317685

IUPAC[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCc1c(C(Cc2ncnn2CC(C)C)NN)cnn1C
InChIInChI=1S/C13H23N7/c1-9(2)7-20-13(15-8-17-20)5-12(18-14)11-6-16-19(4)10(11)3/h6,8-9,12,18H,5,7,14H2,1-4H3
InChIKeyZQLKTEUUQXKNGF-UHFFFAOYSA-N
MW277.38 g/mol
LogP0.72
Rot. Bonds6

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

[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (PubChem CID 105317685) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
PubChem CID105317685
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCc1c(C(Cc2ncnn2CC(C)C)NN)cnn1C
InChIInChI=1S/C13H23N7/c1-9(2)7-20-13(15-8-17-20)5-12(18-14)11-6-16-19(4)10(11)3/h6,8-9,12,18H,5,7,14H2,1-4H3
InChIKeyZQLKTEUUQXKNGF-UHFFFAOYSA-N
XLogP0.72
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
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

[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260503
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317711
[4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-yl]hydrazine
CID 105317693
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
[1-(2-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105234905
[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107948328
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312735

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (CID 105317685) is [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.
What is the SMILES notation for [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The canonical SMILES for [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is Cc1c(C(Cc2ncnn2CC(C)C)NN)cnn1C.
What is the InChIKey of [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The InChIKey is ZQLKTEUUQXKNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-9(2)7-20-13(15-8-17-20)5-12(18-14)11-6-16-19(4)10(11)3/h6,8-9,12,18H,5,7,14H2,1-4H3.
What are the key properties of [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine has a molecular weight of 277.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is sourced from PubChem (CID 105317685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).