[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C11H18N6O — CID 80930831

IUPAC[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESC/C=C/COc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H18N6O/c1-2-3-8-18-11-14-9(16-12)13-10(15-11)17-6-4-5-7-17/h2-3H,4-8,12H2,1H3,(H,13,14,15,16)/b3-2+
InChIKeyHIYZTDFHBLFMIZ-NSCUHMNNSA-N
MW250.31 g/mol
LogP0.71
Rot. Bonds5

About [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80930831) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80930831
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESC/C=C/COc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H18N6O/c1-2-3-8-18-11-14-9(16-12)13-10(15-11)17-6-4-5-7-17/h2-3H,4-8,12H2,1H3,(H,13,14,15,16)/b3-2+
InChIKeyHIYZTDFHBLFMIZ-NSCUHMNNSA-N
XLogP0.71
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,3-dimethylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923939
(4-cyclohexyloxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80905831
[4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80911950
[4-(1-ethoxypropan-2-yloxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 103491759
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
1-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 80900405
4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80867785
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80910841
N-methyl-4-(3-methylbutoxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80858158
[4-(4,4-dimethylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80905338

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80930831) is [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is C/C=C/COc1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is HIYZTDFHBLFMIZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H18N6O/c1-2-3-8-18-11-14-9(16-12)13-10(15-11)17-6-4-5-7-17/h2-3H,4-8,12H2,1H3,(H,13,14,15,16)/b3-2+.
What are the key properties of [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 250.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-but-2-enoxy]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80930831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).