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

C12H21N5O2 — CID 114197438

IUPAC[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(OCC2CCCC(C)C2)n1
InChIInChI=1S/C12H21N5O2/c1-8-4-3-5-9(6-8)7-19-12-15-10(17-13)14-11(16-12)18-2/h8-9H,3-7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyIRJUCOPOXHQUCG-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.37
Rot. Bonds5

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

[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine (PubChem CID 114197438) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine
PubChem CID114197438
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(OCC2CCCC(C)C2)n1
InChIInChI=1S/C12H21N5O2/c1-8-4-3-5-9(6-8)7-19-12-15-10(17-13)14-11(16-12)18-2/h8-9H,3-7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyIRJUCOPOXHQUCG-UHFFFAOYSA-N
XLogP1.37
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine (CID 114197438) is [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(OCC2CCCC(C)C2)n1.
What is the InChIKey of [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is IRJUCOPOXHQUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8-4-3-5-9(6-8)7-19-12-15-10(17-13)14-11(16-12)18-2/h8-9H,3-7,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine?
[4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 267.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-[(3-methylcyclohexyl)methoxy]-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 114197438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).