[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine

C12H18N6 — CID 106756611

IUPAC[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)c1ccnc(C)c1
InChIInChI=1S/C12H18N6/c1-3-18-12(15-8-16-18)7-11(17-13)10-4-5-14-9(2)6-10/h4-6,8,11,17H,3,7,13H2,1-2H3
InChIKeyWFRDFEIXPLMHKH-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.75
Rot. Bonds5

About [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine

[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine (PubChem CID 106756611) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
PubChem CID106756611
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)c1ccnc(C)c1
InChIInChI=1S/C12H18N6/c1-3-18-12(15-8-16-18)7-11(17-13)10-4-5-14-9(2)6-10/h4-6,8,11,17H,3,7,13H2,1-2H3
InChIKeyWFRDFEIXPLMHKH-UHFFFAOYSA-N
XLogP0.75
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine (CID 106756611) is [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine is CCn1ncnc1CC(NN)c1ccnc(C)c1.
What is the InChIKey of [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine?
The InChIKey is WFRDFEIXPLMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-18-12(15-8-16-18)7-11(17-13)10-4-5-14-9(2)6-10/h4-6,8,11,17H,3,7,13H2,1-2H3.
What are the key properties of [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine?
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine has a molecular weight of 246.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 106756611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).