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

C14H23N5O — CID 135784907

IUPAC6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C2/C[C@@H](C)CC[C@H]2C(C)C)[nH]c1=O
InChIInChI=1S/C14H23N5O/c1-8(2)11-6-5-9(3)7-12(11)17-19-14-15-13(20)10(4)16-18-14/h8-9,11H,5-7H2,1-4H3,(H2,15,18,19,20)/b17-12-/t9-,11-/m0/s1
InChIKeyFURSZXIWRKVFDB-GJUWSYHHSA-N
MW277.37 g/mol
LogP2.33
Rot. Bonds3

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

6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135784907) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135784907
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C2/C[C@@H](C)CC[C@H]2C(C)C)[nH]c1=O
InChIInChI=1S/C14H23N5O/c1-8(2)11-6-5-9(3)7-12(11)17-19-14-15-13(20)10(4)16-18-14/h8-9,11H,5-7H2,1-4H3,(H2,15,18,19,20)/b17-12-/t9-,11-/m0/s1
InChIKeyFURSZXIWRKVFDB-GJUWSYHHSA-N
XLogP2.33
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.33
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-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135784907) is 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C2/C[C@@H](C)CC[C@H]2C(C)C)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is FURSZXIWRKVFDB-GJUWSYHHSA-N. The full InChI is InChI=1S/C14H23N5O/c1-8(2)11-6-5-9(3)7-12(11)17-19-14-15-13(20)10(4)16-18-14/h8-9,11H,5-7H2,1-4H3,(H2,15,18,19,20)/b17-12-/t9-,11-/m0/s1.
What are the key properties of 6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2Z)-2-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 277.37 g/mol, XLogP of 2.33, 3 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-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).