1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine

C10H21N5 — CID 105201026

IUPAC1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
SMILESCCC(Cc1ncnn1CC(C)C)NN
InChIInChI=1S/C10H21N5/c1-4-9(14-11)5-10-12-7-13-15(10)6-8(2)3/h7-9,14H,4-6,11H2,1-3H3
InChIKeyGXQXIINZLMQVIQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.72
Rot. Bonds6

About 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine

1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine (PubChem CID 105201026) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
PubChem CID105201026
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
SMILESCCC(Cc1ncnn1CC(C)C)NN
InChIInChI=1S/C10H21N5/c1-4-9(14-11)5-10-12-7-13-15(10)6-8(2)3/h7-9,14H,4-6,11H2,1-3H3
InChIKeyGXQXIINZLMQVIQ-UHFFFAOYSA-N
XLogP0.72
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.72
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

[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
[4-(2,2-difluoroethoxy)-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-yl]hydrazine
CID 103152003
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-2-yl]hydrazine
CID 105214674
[1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151667
N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 105239298
[1-(2-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105234905
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-ylhydrazine
CID 105245744
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(oxolan-2-yl)ethyl]hydrazine
CID 105229065
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
1-cyclohexyl-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine?
The IUPAC name of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine (CID 105201026) is 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine.
What is the SMILES notation for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine?
The canonical SMILES for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine is CCC(Cc1ncnn1CC(C)C)NN.
What is the InChIKey of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine?
The InChIKey is GXQXIINZLMQVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-4-9(14-11)5-10-12-7-13-15(10)6-8(2)3/h7-9,14H,4-6,11H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine?
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine has a molecular weight of 211.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine is sourced from PubChem (CID 105201026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).