1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine

C9H14N4 — CID 107979125

IUPAC1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1cn(C)cn1
InChIInChI=1S/C9H14N4/c1-3-4-5-8(12-10)9-6-13(2)7-11-9/h1,6-8,12H,4-5,10H2,2H3
InChIKeyXEQMANZLBLKJIV-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.34
Rot. Bonds4

About 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine

1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine (PubChem CID 107979125) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine
PubChem CID107979125
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1cn(C)cn1
InChIInChI=1S/C9H14N4/c1-3-4-5-8(12-10)9-6-13(2)7-11-9/h1,6-8,12H,4-5,10H2,2H3
InChIKeyXEQMANZLBLKJIV-UHFFFAOYSA-N
XLogP0.34
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
1-(1-methylimidazol-4-yl)undecylhydrazine
CID 107979020
1-(1-methylimidazol-4-yl)pent-4-enylhydrazine
CID 107979159
1-(1-methylimidazol-4-yl)prop-2-ynylhydrazine
CID 107979197
[3-methylidene-1-(1-methylimidazol-4-yl)pentyl]hydrazine
CID 107979245
1-(5-methylpyrazin-2-yl)pent-4-ynylhydrazine
CID 105307917
1-(1-methylimidazol-4-yl)but-3-yn-1-amine
CID 107973346
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
CID 105307862
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
CID 105307847
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 106271490

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine (CID 107979125) is 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine?
The InChIKey is XEQMANZLBLKJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-4-5-8(12-10)9-6-13(2)7-11-9/h1,6-8,12H,4-5,10H2,2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine?
1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine has a molecular weight of 178.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 107979125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).