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

C13H21N7 — CID 105260503

IUPAC[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
SMILESCc1nccc(C(Cc2ncnn2CC(C)C)NN)n1
InChIInChI=1S/C13H21N7/c1-9(2)7-20-13(16-8-17-20)6-12(19-14)11-4-5-15-10(3)18-11/h4-5,8-9,12,19H,6-7,14H2,1-3H3
InChIKeyAMZNYTBTJRTWTK-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.78
Rot. Bonds6

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

[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine (PubChem CID 105260503) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
PubChem CID105260503
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
SMILESCc1nccc(C(Cc2ncnn2CC(C)C)NN)n1
InChIInChI=1S/C13H21N7/c1-9(2)7-20-13(16-8-17-20)6-12(19-14)11-4-5-15-10(3)18-11/h4-5,8-9,12,19H,6-7,14H2,1-3H3
InChIKeyAMZNYTBTJRTWTK-UHFFFAOYSA-N
XLogP0.78
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.78
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

[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317685
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661
[2-methoxy-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260599
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
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619
[1-(2-methylpyrimidin-4-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105260601
[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107948328
[1-(2,6-dimethyl-3-pyridinyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318472

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The IUPAC name of [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine (CID 105260503) is [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine is Cc1nccc(C(Cc2ncnn2CC(C)C)NN)n1.
What is the InChIKey of [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
The InChIKey is AMZNYTBTJRTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-9(2)7-20-13(16-8-17-20)6-12(19-14)11-4-5-15-10(3)18-11/h4-5,8-9,12,19H,6-7,14H2,1-3H3.
What are the key properties of [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine?
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine has a molecular weight of 275.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105260503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).