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

C9H16N4 — CID 107979159

IUPAC1-(1-methylimidazol-4-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1cn(C)cn1
InChIInChI=1S/C9H16N4/c1-3-4-5-8(12-10)9-6-13(2)7-11-9/h3,6-8,12H,1,4-5,10H2,2H3
InChIKeyQSHKAYWGSGHVBU-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.89
Rot. Bonds5

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

1-(1-methylimidazol-4-yl)pent-4-enylhydrazine (PubChem CID 107979159) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)pent-4-enylhydrazine
PubChem CID107979159
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(1-methylimidazol-4-yl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1cn(C)cn1
InChIInChI=1S/C9H16N4/c1-3-4-5-8(12-10)9-6-13(2)7-11-9/h3,6-8,12H,1,4-5,10H2,2H3
InChIKeyQSHKAYWGSGHVBU-UHFFFAOYSA-N
XLogP0.89
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975594
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
1-(1-methylimidazol-4-yl)undecylhydrazine
CID 107979020
1-(1-methylimidazol-4-yl)pent-4-ynylhydrazine
CID 107979125
N-ethyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975605
1-(1-methylimidazol-4-yl)oct-7-en-1-ol
CID 107978815
[3-methylidene-1-(1-methylimidazol-4-yl)pentyl]hydrazine
CID 107979245
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
1-pyrimidin-4-ylpent-4-enylhydrazine
CID 105221008
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855
1-(1,2,5-thiadiazol-3-yl)pent-4-enylhydrazine
CID 105311515

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine?
The IUPAC name of 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine (CID 107979159) is 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine is C=CCCC(NN)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine?
The InChIKey is QSHKAYWGSGHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-4-5-8(12-10)9-6-13(2)7-11-9/h3,6-8,12H,1,4-5,10H2,2H3.
What are the key properties of 1-(1-methylimidazol-4-yl)pent-4-enylhydrazine?
1-(1-methylimidazol-4-yl)pent-4-enylhydrazine has a molecular weight of 180.25 g/mol, XLogP of 0.89, 5 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-enylhydrazine is sourced from PubChem (CID 107979159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).