[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

C13H22N6O — CID 80899588

IUPAC[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(N2CCCC3CCCCC32)n1
InChIInChI=1S/C13H22N6O/c1-20-13-16-11(18-14)15-12(17-13)19-8-4-6-9-5-2-3-7-10(9)19/h9-10H,2-8,14H2,1H3,(H,15,16,17,18)
InChIKeyBYZVHQGCQKHCEN-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.32
Rot. Bonds3

About [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine

[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80899588) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80899588
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(N2CCCC3CCCCC32)n1
InChIInChI=1S/C13H22N6O/c1-20-13-16-11(18-14)15-12(17-13)19-8-4-6-9-5-2-3-7-10(9)19/h9-10H,2-8,14H2,1H3,(H,15,16,17,18)
InChIKeyBYZVHQGCQKHCEN-UHFFFAOYSA-N
XLogP1.32
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.32
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'}

Analyze [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine with MolForge

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Launch Full Analysis

Related Compounds

[4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927925
4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80820078
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790017
[4-methoxy-6-(4-methylsulfanylazepan-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 114238717
6-(2-cyclopentylpyrrolidin-1-yl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80792754
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 102729128
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 82751555
[4-(8-azaspiro[4.5]decan-8-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80914000
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 82751850
(4-cyclohexyloxy-6-methoxy-1,3,5-triazin-2-yl)hydrazine
CID 80910649
2-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108983
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80900110

Frequently Asked Questions

What is the IUPAC name of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [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) is [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(N2CCCC3CCCCC32)n1.
What is the InChIKey of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is BYZVHQGCQKHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-20-13-16-11(18-14)15-12(17-13)19-8-4-6-9-5-2-3-7-10(9)19/h9-10H,2-8,14H2,1H3,(H,15,16,17,18).
What are the key properties of [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine?
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-methoxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80899588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).