[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine

C13H17N3O — CID 107504873

IUPAC[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2ccco2)NN)cc(C)n1
InChIInChI=1S/C13H17N3O/c1-9-6-11(7-10(2)15-9)13(16-14)8-12-4-3-5-17-12/h3-7,13,16H,8,14H2,1-2H3
InChIKeyXSPNXMCRJPDYJP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

About [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine

[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine (PubChem CID 107504873) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine
PubChem CID107504873
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine
SMILESCc1cc(C(Cc2ccco2)NN)cc(C)n1
InChIInChI=1S/C13H17N3O/c1-9-6-11(7-10(2)15-9)13(16-14)8-12-4-3-5-17-12/h3-7,13,16H,8,14H2,1-2H3
InChIKeyXSPNXMCRJPDYJP-UHFFFAOYSA-N
XLogP2.04
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine (CID 107504873) is [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine is Cc1cc(C(Cc2ccco2)NN)cc(C)n1.
What is the InChIKey of [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine?
The InChIKey is XSPNXMCRJPDYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-11(7-10(2)15-9)13(16-14)8-12-4-3-5-17-12/h3-7,13,16H,8,14H2,1-2H3.
What are the key properties of [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine?
[1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine has a molecular weight of 231.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethyl-4-pyridinyl)-2-(furan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107504873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).