[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine

C10H18N6O — CID 80899195

IUPAC[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(N2CCC(C)C2)n1
InChIInChI=1S/C10H18N6O/c1-3-17-10-13-8(15-11)12-9(14-10)16-5-4-7(2)6-16/h7H,3-6,11H2,1-2H3,(H,12,13,14,15)
InChIKeyYIYSYLNKJLLCMI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.40
Rot. Bonds4

About [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80899195) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80899195
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(N2CCC(C)C2)n1
InChIInChI=1S/C10H18N6O/c1-3-17-10-13-8(15-11)12-9(14-10)16-5-4-7(2)6-16/h7H,3-6,11H2,1-2H3,(H,12,13,14,15)
InChIKeyYIYSYLNKJLLCMI-UHFFFAOYSA-N
XLogP0.40
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971920
[4-ethoxy-6-(4-ethyl-3-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80911156
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 80900405
1-(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971915
[4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)morpholin-2-yl]methanol
CID 81218495
4-ethoxy-N-methyl-6-(4-methylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80834392
[4-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102939211
4-(3,5-dimethylpiperidin-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80766730
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80899195) is [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(N2CCC(C)C2)n1.
What is the InChIKey of [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is YIYSYLNKJLLCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-3-17-10-13-8(15-11)12-9(14-10)16-5-4-7(2)6-16/h7H,3-6,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 238.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80899195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).