[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine

C7H14N4O — CID 62596699

IUPAC[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESCC(C)CCc1noc(NN)n1
InChIInChI=1S/C7H14N4O/c1-5(2)3-4-6-9-7(10-8)12-11-6/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyDHDNBXVGVREKNB-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.94
Rot. Bonds4

About [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine

[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine (PubChem CID 62596699) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine
PubChem CID62596699
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESCC(C)CCc1noc(NN)n1
InChIInChI=1S/C7H14N4O/c1-5(2)3-4-6-9-7(10-8)12-11-6/h5H,3-4,8H2,1-2H3,(H,9,10,11)
InChIKeyDHDNBXVGVREKNB-UHFFFAOYSA-N
XLogP0.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.94
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

[5,6-dimethyl-2-(3-methylbutyl)pyrimidin-4-yl]hydrazine
CID 62250159
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685815
N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 113442813
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884711
[2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201594
3-(3-methylbutyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914882
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 104847420
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
CID 106659745
[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 62596515
2-(3-methylbutyl)-4,6-di(propan-2-yl)-1,3,5-triazine
CID 90724763

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The IUPAC name of [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine (CID 62596699) is [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine.
What is the SMILES notation for [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The canonical SMILES for [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine is CC(C)CCc1noc(NN)n1.
What is the InChIKey of [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The InChIKey is DHDNBXVGVREKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(2)3-4-6-9-7(10-8)12-11-6/h5H,3-4,8H2,1-2H3,(H,9,10,11).
What are the key properties of [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine?
[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine has a molecular weight of 170.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]hydrazine is sourced from PubChem (CID 62596699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).