[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

C10H21N5O — CID 105247050

IUPAC[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCOC(C)C(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C10H21N5O/c1-7(2)15-10(12-6-13-15)5-9(14-11)8(3)16-4/h6-9,14H,5,11H2,1-4H3
InChIKeyHPSDRSQPUKOBSM-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.27
Rot. Bonds6

About [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine

[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (PubChem CID 105247050) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
PubChem CID105247050
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
SMILESCOC(C)C(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C10H21N5O/c1-7(2)15-10(12-6-13-15)5-9(14-11)8(3)16-4/h6-9,14H,5,11H2,1-4H3
InChIKeyHPSDRSQPUKOBSM-UHFFFAOYSA-N
XLogP0.27
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
[1-methoxy-1-phenyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105279144
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
[1-ethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235383
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
N,N-diethyl-3-hydrazinyl-2-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105239377
3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
CID 116719460
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
N-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104999745

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The IUPAC name of [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine (CID 105247050) is [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The canonical SMILES for [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is COC(C)C(Cc1ncnn1C(C)C)NN.
What is the InChIKey of [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
The InChIKey is HPSDRSQPUKOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-7(2)15-10(12-6-13-15)5-9(14-11)8(3)16-4/h6-9,14H,5,11H2,1-4H3.
What are the key properties of [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine?
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine has a molecular weight of 227.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105247050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).