[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

C12H22N6O — CID 80929797

IUPAC[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCC1(CC)CCN(c2nc(NN)nc(OC)n2)C1
InChIInChI=1S/C12H22N6O/c1-4-12(5-2)6-7-18(8-12)10-14-9(17-13)15-11(16-10)19-3/h4-8,13H2,1-3H3,(H,14,15,16,17)
InChIKeyOJHNHGLNPZIYDM-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.18
Rot. Bonds5

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

[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80929797) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80929797
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCCC1(CC)CCN(c2nc(NN)nc(OC)n2)C1
InChIInChI=1S/C12H22N6O/c1-4-12(5-2)6-7-18(8-12)10-14-9(17-13)15-11(16-10)19-3/h4-8,13H2,1-3H3,(H,14,15,16,17)
InChIKeyOJHNHGLNPZIYDM-UHFFFAOYSA-N
XLogP1.18
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.18
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

[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322588
ethyl 4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877882
[4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80907116
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80854586
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80921274
2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108983
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
[4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928758
[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 114238717
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 80931369

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (CID 80929797) is [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is CCC1(CC)CCN(c2nc(NN)nc(OC)n2)C1.
What is the InChIKey of [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is OJHNHGLNPZIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-12(5-2)6-7-18(8-12)10-14-9(17-13)15-11(16-10)19-3/h4-8,13H2,1-3H3,(H,14,15,16,17).
What are the key properties of [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 266.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80929797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).