1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine

C10H13N3 — CID 105262150

IUPAC1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccncc1CC
InChIInChI=1S/C10H13N3/c1-3-8-7-12-6-5-9(8)10(4-2)13-11/h2,5-7,10,13H,3,11H2,1H3
InChIKeyFPWXGCGPUWYITH-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.78
Rot. Bonds3

About 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine

1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine (PubChem CID 105262150) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine
PubChem CID105262150
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine
SMILESC#CC(NN)c1ccncc1CC
InChIInChI=1S/C10H13N3/c1-3-8-7-12-6-5-9(8)10(4-2)13-11/h2,5-7,10,13H,3,11H2,1H3
InChIKeyFPWXGCGPUWYITH-UHFFFAOYSA-N
XLogP0.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine?
The IUPAC name of 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine (CID 105262150) is 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine is C#CC(NN)c1ccncc1CC.
What is the InChIKey of 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine?
The InChIKey is FPWXGCGPUWYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-8-7-12-6-5-9(8)10(4-2)13-11/h2,5-7,10,13H,3,11H2,1H3.
What are the key properties of 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine?
1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine has a molecular weight of 175.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-pyridinyl)prop-2-ynylhydrazine is sourced from PubChem (CID 105262150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).