1-(3,4-dichlorophenyl)pent-3-ynylhydrazine

C11H12Cl2N2 — CID 105257080

IUPAC1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2/c1-2-3-4-11(15-14)8-5-6-9(12)10(13)7-8/h5-7,11,15H,4,14H2,1H3
InChIKeyMBCSNOSIXZPNCU-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.91
Rot. Bonds3

About 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine

1-(3,4-dichlorophenyl)pent-3-ynylhydrazine (PubChem CID 105257080) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
PubChem CID105257080
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name1-(3,4-dichlorophenyl)pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2/c1-2-3-4-11(15-14)8-5-6-9(12)10(13)7-8/h5-7,11,15H,4,14H2,1H3
InChIKeyMBCSNOSIXZPNCU-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-bromophenyl)pent-3-ynylhydrazine
CID 105192351
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
1-(3-chloro-4-methylphenyl)-N-methylpent-3-yn-1-amine
CID 115820022
1-(3-chlorothiophen-2-yl)pent-3-ynylhydrazine
CID 105290579
1-(4-bromo-3-chlorophenyl)hex-4-ynylhydrazine
CID 105335018
1-(4-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 107992287
3-(3,4-dichlorophenyl)-3-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105259260
[1-(3,4-dichlorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105257205
1-(4-ethoxyphenyl)pent-3-ynylhydrazine
CID 105290586
1-(2,3-dihydro-1-benzofuran-5-yl)pent-3-ynylhydrazine
CID 105290659
1-(5-bromothiophen-3-yl)pent-3-ynylhydrazine
CID 105290740
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine?
The IUPAC name of 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine (CID 105257080) is 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine is CC#CCC(NN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine?
The InChIKey is MBCSNOSIXZPNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2/c1-2-3-4-11(15-14)8-5-6-9(12)10(13)7-8/h5-7,11,15H,4,14H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine?
1-(3,4-dichlorophenyl)pent-3-ynylhydrazine has a molecular weight of 243.14 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)pent-3-ynylhydrazine is sourced from PubChem (CID 105257080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).