6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C15H25N5O — CID 135784898

IUPAC6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCCC(C)(C)C1CCC(=NNc2nnc(C)c(=O)[nH]2)CC1
InChIInChI=1S/C15H25N5O/c1-5-15(3,4)11-6-8-12(9-7-11)18-20-14-16-13(21)10(2)17-19-14/h11H,5-9H2,1-4H3,(H2,16,19,20,21)/b18-12-
InChIKeyQGXFXSSLYIYYJB-PDGQHHTCSA-N
MW291.40 g/mol
LogP2.87
Rot. Bonds4

About 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135784898) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135784898
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCCC(C)(C)C1CCC(=NNc2nnc(C)c(=O)[nH]2)CC1
InChIInChI=1S/C15H25N5O/c1-5-15(3,4)11-6-8-12(9-7-11)18-20-14-16-13(21)10(2)17-19-14/h11H,5-9H2,1-4H3,(H2,16,19,20,21)/b18-12-
InChIKeyQGXFXSSLYIYYJB-PDGQHHTCSA-N
XLogP2.87
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135784898) is 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is CCC(C)(C)C1CCC(=NNc2nnc(C)c(=O)[nH]2)CC1.
What is the InChIKey of 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is QGXFXSSLYIYYJB-PDGQHHTCSA-N. The full InChI is InChI=1S/C15H25N5O/c1-5-15(3,4)11-6-8-12(9-7-11)18-20-14-16-13(21)10(2)17-19-14/h11H,5-9H2,1-4H3,(H2,16,19,20,21)/b18-12-.
What are the key properties of 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 291.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[4-(2-methylbutan-2-yl)cyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).