N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide

C9H15ClN6O2 — CID 34883155

IUPACN'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide
SMILESCC(C)(C)c1nnc(NNC(=O)CCl)n(N)c1=O
InChIInChI=1S/C9H15ClN6O2/c1-9(2,3)6-7(18)16(11)8(15-13-6)14-12-5(17)4-10/h4,11H2,1-3H3,(H,12,17)(H,14,15)
InChIKeyACUYSXOWNFMHAO-UHFFFAOYSA-N
MW274.71 g/mol
LogP-0.67
Rot. Bonds3

About N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide

N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide (PubChem CID 34883155) has the molecular formula C9H15ClN6O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide.

Molecular Properties

Compound NameN'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide
PubChem CID34883155
Molecular FormulaC9H15ClN6O2
Molecular Weight274.71 g/mol
Exact Mass274.09
IUPAC NameN'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide
SMILESCC(C)(C)c1nnc(NNC(=O)CCl)n(N)c1=O
InChIInChI=1S/C9H15ClN6O2/c1-9(2,3)6-7(18)16(11)8(15-13-6)14-12-5(17)4-10/h4,11H2,1-3H3,(H,12,17)(H,14,15)
InChIKeyACUYSXOWNFMHAO-UHFFFAOYSA-N
XLogP-0.67
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide?
The IUPAC name of N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide (CID 34883155) is N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide.
What is the SMILES notation for N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide?
The canonical SMILES for N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide is CC(C)(C)c1nnc(NNC(=O)CCl)n(N)c1=O.
What is the InChIKey of N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide?
The InChIKey is ACUYSXOWNFMHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O2/c1-9(2,3)6-7(18)16(11)8(15-13-6)14-12-5(17)4-10/h4,11H2,1-3H3,(H,12,17)(H,14,15).
What are the key properties of N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide?
N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide has a molecular weight of 274.71 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-6-tert-butyl-5-oxo-1,2,4-triazin-3-yl)-2-chloroacetohydrazide is sourced from PubChem (CID 34883155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).