(5-tert-butyl-1,2,4-triazin-3-yl)hydrazine

C7H13N5 — CID 12853060

IUPAC(5-tert-butyl-1,2,4-triazin-3-yl)hydrazine
SMILESCC(C)(C)c1cnnc(NN)n1
InChIInChI=1S/C7H13N5/c1-7(2,3)5-4-9-12-6(10-5)11-8/h4H,8H2,1-3H3,(H,10,11,12)
InChIKeyLSXOESPAYJKBFD-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.45
Rot. Bonds1

About (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine

(5-tert-butyl-1,2,4-triazin-3-yl)hydrazine (PubChem CID 12853060) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-triazin-3-yl)hydrazine
PubChem CID12853060
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name(5-tert-butyl-1,2,4-triazin-3-yl)hydrazine
SMILESCC(C)(C)c1cnnc(NN)n1
InChIInChI=1S/C7H13N5/c1-7(2,3)5-4-9-12-6(10-5)11-8/h4H,8H2,1-3H3,(H,10,11,12)
InChIKeyLSXOESPAYJKBFD-UHFFFAOYSA-N
XLogP0.45
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

as-Triazine, 5-tert-butyl-3-(methylthio)-
CID 3052758
as-Triazine, 5-tert-butyl-3-methoxy-
CID 12853062
6-t-Butyl-1,2,4-triazine
CID 23383515
3-Amino-5-(1-fluoro-1-methylethyl)-1,2,4-triazine
CID 22240088
5-(1,1-Difluoroethyl)-1,2,4-triazin-3-amine
CID 22329503
5-(1-Fluoropropyl)-1,2,4-triazin-3-amine
CID 91206406
5-Tert-butyl-1,2,4-triazin-3-amine
CID 15564622
5-Tert-butyl-1,2,4-triazine
CID 23383499
(5-Methyl-1,2,4-triazin-3-yl)hydrazine
CID 12335170
5-(tert-Butyl)-3-chloro-1,2,4-triazine
CID 15564621
5-Propan-2-yl-1,2,4-triazine
CID 20700907
5-Propan-2-yl-1,2,4-triazin-3-amine
CID 21138965

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine?
The IUPAC name of (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine (CID 12853060) is (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine.
What is the SMILES notation for (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine?
The canonical SMILES for (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine is CC(C)(C)c1cnnc(NN)n1.
What is the InChIKey of (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine?
The InChIKey is LSXOESPAYJKBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-7(2,3)5-4-9-12-6(10-5)11-8/h4H,8H2,1-3H3,(H,10,11,12).
What are the key properties of (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine?
(5-tert-butyl-1,2,4-triazin-3-yl)hydrazine has a molecular weight of 167.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-triazin-3-yl)hydrazine is sourced from PubChem (CID 12853060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).