[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine

C9H19N5 — CID 105220254

IUPAC[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
SMILESCn1nncc1C(CC(C)(C)C)NN
InChIInChI=1S/C9H19N5/c1-9(2,3)5-7(12-10)8-6-11-13-14(8)4/h6-7,12H,5,10H2,1-4H3
InChIKeyYPNWEBWGEGLPQX-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.76
Rot. Bonds3

About [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine

[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine (PubChem CID 105220254) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
PubChem CID105220254
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
SMILESCn1nncc1C(CC(C)(C)C)NN
InChIInChI=1S/C9H19N5/c1-9(2,3)5-7(12-10)8-6-11-13-14(8)4/h6-7,12H,5,10H2,1-4H3
InChIKeyYPNWEBWGEGLPQX-UHFFFAOYSA-N
XLogP0.76
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.76
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,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
1-(3-methyltriazol-4-yl)dodecylhydrazine
CID 105337498
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105337598
[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105206647
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105237364
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
CID 114691476
[1-(3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 105337635

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine?
The IUPAC name of [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine (CID 105220254) is [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine?
The canonical SMILES for [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine is Cn1nncc1C(CC(C)(C)C)NN.
What is the InChIKey of [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine?
The InChIKey is YPNWEBWGEGLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-9(2,3)5-7(12-10)8-6-11-13-14(8)4/h6-7,12H,5,10H2,1-4H3.
What are the key properties of [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine?
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine has a molecular weight of 197.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105220254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).