1-(1H-imidazol-2-yl)hex-4-ynylhydrazine

C9H14N4 — CID 105252218

IUPAC1-(1H-imidazol-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ncc[nH]1
InChIInChI=1S/C9H14N4/c1-2-3-4-5-8(13-10)9-11-6-7-12-9/h6-8,13H,4-5,10H2,1H3,(H,11,12)
InChIKeyDKWGVMMADZWCNN-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.72
Rot. Bonds4

About 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine

1-(1H-imidazol-2-yl)hex-4-ynylhydrazine (PubChem CID 105252218) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)hex-4-ynylhydrazine
PubChem CID105252218
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(1H-imidazol-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ncc[nH]1
InChIInChI=1S/C9H14N4/c1-2-3-4-5-8(13-10)9-11-6-7-12-9/h6-8,13H,4-5,10H2,1H3,(H,11,12)
InChIKeyDKWGVMMADZWCNN-UHFFFAOYSA-N
XLogP0.72
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(5-methylpyrazin-2-yl)hex-4-ynylhydrazine
CID 105335026
1-(2-methyl-4-pyridinyl)hex-4-ynylhydrazine
CID 106756698
[2-(2,5-dimethylphenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252049
[2-(5-ethyl-2-pyridinyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252062
[2-(4-bromophenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252268
1-quinolin-4-ylhex-4-ynylhydrazine
CID 105334903
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
[2-(2-bromo-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethyl]hydrazine
CID 105252067
1-(2-ethyl-5-methylpyrazol-3-yl)hex-4-ynylhydrazine
CID 105335035
1-(3-bromo-2-methylphenyl)hex-4-ynylhydrazine
CID 105335067
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine?
The IUPAC name of 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine (CID 105252218) is 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine?
The InChIKey is DKWGVMMADZWCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-3-4-5-8(13-10)9-11-6-7-12-9/h6-8,13H,4-5,10H2,1H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine?
1-(1H-imidazol-2-yl)hex-4-ynylhydrazine has a molecular weight of 178.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)hex-4-ynylhydrazine is sourced from PubChem (CID 105252218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).