2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C13H22N6O2 — CID 81108983

IUPAC2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCOc1nc(NN)nc(N2CCC3(O)CCCCC3C2)n1
InChIInChI=1S/C13H22N6O2/c1-21-12-16-10(18-14)15-11(17-12)19-7-6-13(20)5-3-2-4-9(13)8-19/h9,20H,2-8,14H2,1H3,(H,15,16,17,18)
InChIKeyZSEKOSKEZKECCZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.30
Rot. Bonds3

About 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81108983) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81108983
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESCOc1nc(NN)nc(N2CCC3(O)CCCCC3C2)n1
InChIInChI=1S/C13H22N6O2/c1-21-12-16-10(18-14)15-11(17-12)19-7-6-13(20)5-3-2-4-9(13)8-19/h9,20H,2-8,14H2,1H3,(H,15,16,17,18)
InChIKeyZSEKOSKEZKECCZ-UHFFFAOYSA-N
XLogP0.30
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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Launch Full Analysis

Related Compounds

[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
2-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81109320
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108657
[4-(3,3-diethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80929797
2-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 133420780
[4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927925
[4-(2,6-dimethylthiomorpholin-4-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80912272
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80899588
[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 114238717
1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322588
1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409062

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81108983) is 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is COc1nc(NN)nc(N2CCC3(O)CCCCC3C2)n1.
What is the InChIKey of 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is ZSEKOSKEZKECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-21-12-16-10(18-14)15-11(17-12)19-7-6-13(20)5-3-2-4-9(13)8-19/h9,20H,2-8,14H2,1H3,(H,15,16,17,18).
What are the key properties of 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 294.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81108983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).