[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine

C12H25N5 — CID 105317424

IUPAC[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C12H25N5/c1-6-12(4,5)10(16-13)7-11-14-8-15-17(11)9(2)3/h8-10,16H,6-7,13H2,1-5H3
InChIKeyXHMFMJMJIPHJAI-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.67
Rot. Bonds6

About [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine

[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine (PubChem CID 105317424) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
PubChem CID105317424
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C12H25N5/c1-6-12(4,5)10(16-13)7-11-14-8-15-17(11)9(2)3/h8-10,16H,6-7,13H2,1-5H3
InChIKeyXHMFMJMJIPHJAI-UHFFFAOYSA-N
XLogP1.67
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.67
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

N,N-diethyl-3-hydrazinyl-2-methyl-4-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 105239377
1,1,1-trifluoro-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999794
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[1-ethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235383
[1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105246125
[3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 105247050
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
N-ethyl-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79051289
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
N,3-dimethyl-3-piperidin-1-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 79052008
3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 116752288
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
The IUPAC name of [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine (CID 105317424) is [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine.
What is the SMILES notation for [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
The canonical SMILES for [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine is CCC(C)(C)C(Cc1ncnn1C(C)C)NN.
What is the InChIKey of [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
The InChIKey is XHMFMJMJIPHJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-6-12(4,5)10(16-13)7-11-14-8-15-17(11)9(2)3/h8-10,16H,6-7,13H2,1-5H3.
What are the key properties of [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine?
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine has a molecular weight of 239.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105317424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).