3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C12H19N5O — CID 135784787

IUPAC3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN=C2[C@H](C)CCC[C@H]2C)[nH]c1=O
InChIInChI=1S/C12H19N5O/c1-7-5-4-6-8(2)10(7)15-17-12-13-11(18)9(3)14-16-12/h7-8H,4-6H2,1-3H3,(H2,13,16,17,18)/t7-,8-/m1/s1
InChIKeyHNECSKPWFPGCDR-HTQZYQBOSA-N
MW249.32 g/mol
LogP1.70
Rot. Bonds2

About 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135784787) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135784787
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NN=C2[C@H](C)CCC[C@H]2C)[nH]c1=O
InChIInChI=1S/C12H19N5O/c1-7-5-4-6-8(2)10(7)15-17-12-13-11(18)9(3)14-16-12/h7-8H,4-6H2,1-3H3,(H2,13,16,17,18)/t7-,8-/m1/s1
InChIKeyHNECSKPWFPGCDR-HTQZYQBOSA-N
XLogP1.70
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.70
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 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135784787) is 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(NN=C2[C@H](C)CCC[C@H]2C)[nH]c1=O.
What is the InChIKey of 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is HNECSKPWFPGCDR-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-5-4-6-8(2)10(7)15-17-12-13-11(18)9(3)14-16-12/h7-8H,4-6H2,1-3H3,(H2,13,16,17,18)/t7-,8-/m1/s1.
What are the key properties of 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 249.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R,6R)-2,6-dimethylcyclohexylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).