4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one

C14H18N6O2 — CID 135517165

IUPAC4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(N/N=C/c2ccccc2O)n(N)c1=O
InChIInChI=1S/C14H18N6O2/c1-14(2,3)11-12(22)20(15)13(19-17-11)18-16-8-9-6-4-5-7-10(9)21/h4-8,21H,15H2,1-3H3,(H,18,19)/b16-8+
InChIKeyRQRJIIURDVCNNU-LZYBPNLTSA-N
MW302.34 g/mol
LogP0.80
Rot. Bonds3

About 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one

4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one (PubChem CID 135517165) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
PubChem CID135517165
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(N/N=C/c2ccccc2O)n(N)c1=O
InChIInChI=1S/C14H18N6O2/c1-14(2,3)11-12(22)20(15)13(19-17-11)18-16-8-9-6-4-5-7-10(9)21/h4-8,21H,15H2,1-3H3,(H,18,19)/b16-8+
InChIKeyRQRJIIURDVCNNU-LZYBPNLTSA-N
XLogP0.80
TPSA118.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one (CID 135517165) is 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one is CC(C)(C)c1nnc(N/N=C/c2ccccc2O)n(N)c1=O.
What is the InChIKey of 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
The InChIKey is RQRJIIURDVCNNU-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-14(2,3)11-12(22)20(15)13(19-17-11)18-16-8-9-6-4-5-7-10(9)21/h4-8,21H,15H2,1-3H3,(H,18,19)/b16-8+.
What are the key properties of 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one?
4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one has a molecular weight of 302.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-tert-butyl-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 135517165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).