6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C13H21N5O — CID 135784897

IUPAC6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C2/C[C@@H](C)CC(C)(C)C2)[nH]c1=O
InChIInChI=1S/C13H21N5O/c1-8-5-10(7-13(3,4)6-8)16-18-12-14-11(19)9(2)15-17-12/h8H,5-7H2,1-4H3,(H2,14,17,18,19)/b16-10-/t8-/m1/s1
InChIKeyLWSLWMZYJFDNNR-GUVSKROPSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds2

About 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135784897) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135784897
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C2/C[C@@H](C)CC(C)(C)C2)[nH]c1=O
InChIInChI=1S/C13H21N5O/c1-8-5-10(7-13(3,4)6-8)16-18-12-14-11(19)9(2)15-17-12/h8H,5-7H2,1-4H3,(H2,14,17,18,19)/b16-10-/t8-/m1/s1
InChIKeyLWSLWMZYJFDNNR-GUVSKROPSA-N
XLogP2.09
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
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-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135784897) is 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C2/C[C@@H](C)CC(C)(C)C2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is LWSLWMZYJFDNNR-GUVSKROPSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-5-10(7-13(3,4)6-8)16-18-12-14-11(19)9(2)15-17-12/h8H,5-7H2,1-4H3,(H2,14,17,18,19)/b16-10-/t8-/m1/s1.
What are the key properties of 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 263.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2Z)-2-[(5S)-3,3,5-trimethylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).