4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one

C7H14N6O — CID 55282066

IUPAC4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(NN)n(N)c1=O
InChIInChI=1S/C7H14N6O/c1-7(2,3)4-5(14)13(9)6(10-8)12-11-4/h8-9H2,1-3H3,(H,10,12)
InChIKeyBYYNMXABNXIQEV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.06
Rot. Bonds1

About 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one

4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one (PubChem CID 55282066) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one
PubChem CID55282066
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one
SMILESCC(C)(C)c1nnc(NN)n(N)c1=O
InChIInChI=1S/C7H14N6O/c1-7(2,3)4-5(14)13(9)6(10-8)12-11-4/h8-9H2,1-3H3,(H,10,12)
InChIKeyBYYNMXABNXIQEV-UHFFFAOYSA-N
XLogP-1.06
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-Amino-3-hydrazinyl-6-methyl-1,2,4-triazin-5-one
CID 4310513
3,4-Diamino-6-ethyl-1,2,4-triazin-5(4H)-one
CID 10130075
4-Amino-6-tert-butyl-3-(methylamino)-1,2,4-triazin-5-one
CID 13753899
3,4-Diamino-6-(1,1-dimethylethyl)-4H-1,2,4-triazin-5-one
CID 15357018
6-Tert-butyl-3-(dimethylamino)-4-(methylamino)-1,2,4-triazin-5-one
CID 21277257
3,4-Diamino-6-ethyl-1,2,4-triazin-5-one;hydrochloride
CID 22611110
3,4-Diamino-6-isopropyl-1,2,4-triazin-5(4H)-one
CID 22611120
3,4-Diamino-6-propan-2-yl-1,2,4-triazin-5-one;hydrochloride
CID 22611126
6-tert-Butyl-3,4-bis(methylamino)-1,2,4-triazin-5(4H)-one
CID 54341536
4-Amino-6-tert-butyl-3-(hydroxyamino)-1,2,4-triazin-5-one
CID 3518173
N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide
CID 34883155
6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
CID 135929400

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one (CID 55282066) is 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one is CC(C)(C)c1nnc(NN)n(N)c1=O.
What is the InChIKey of 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one?
The InChIKey is BYYNMXABNXIQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-7(2,3)4-5(14)13(9)6(10-8)12-11-4/h8-9H2,1-3H3,(H,10,12).
What are the key properties of 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one?
4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one has a molecular weight of 198.23 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5-one is sourced from PubChem (CID 55282066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).