1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine

C12H18N2O — CID 105307830

IUPAC1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1c(C)oc(C)c1C
InChIInChI=1S/C12H18N2O/c1-5-6-7-11(14-13)12-8(2)9(3)15-10(12)4/h1,11,14H,6-7,13H2,2-4H3
InChIKeyZGNZMXQLPKLPPU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.12
Rot. Bonds4

About 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine

1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine (PubChem CID 105307830) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine
PubChem CID105307830
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1c(C)oc(C)c1C
InChIInChI=1S/C12H18N2O/c1-5-6-7-11(14-13)12-8(2)9(3)15-10(12)4/h1,11,14H,6-7,13H2,2-4H3
InChIKeyZGNZMXQLPKLPPU-UHFFFAOYSA-N
XLogP2.12
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
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-(2,4,5-trimethylfuran-3-yl)butylhydrazine
CID 105282209
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-ynylhydrazine
CID 105307847
[2-phenyl-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105283083
1-(5-bromofuran-2-yl)pent-4-ynylhydrazine
CID 105307991
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105326755
[2-(2,5-dimethylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105287695
1-(5-methylpyrazin-2-yl)pent-4-ynylhydrazine
CID 105307917
1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine
CID 105308015
1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
CID 105333419
N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 114982292
[2-(2-chloro-3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105332792
[2-(4-chloro-3-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 107895489

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine?
The IUPAC name of 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine (CID 105307830) is 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine.
What is the SMILES notation for 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine?
The canonical SMILES for 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine is C#CCCC(NN)c1c(C)oc(C)c1C.
What is the InChIKey of 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine?
The InChIKey is ZGNZMXQLPKLPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-5-6-7-11(14-13)12-8(2)9(3)15-10(12)4/h1,11,14H,6-7,13H2,2-4H3.
What are the key properties of 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine?
1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine has a molecular weight of 206.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylfuran-3-yl)pent-4-ynylhydrazine is sourced from PubChem (CID 105307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).