4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione

C8H16N4S — CID 151318752

IUPAC4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione
SMILESCC1NN=C(C(C)(C)C)C(=S)N1N
InChIInChI=1S/C8H16N4S/c1-5-10-11-6(8(2,3)4)7(13)12(5)9/h5,10H,9H2,1-4H3
InChIKeyMEGIPHDTARVRJC-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.84
Rot. Bonds

About 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione

4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione (PubChem CID 151318752) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione.

Molecular Properties

Compound Name4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione
PubChem CID151318752
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione
SMILESCC1NN=C(C(C)(C)C)C(=S)N1N
InChIInChI=1S/C8H16N4S/c1-5-10-11-6(8(2,3)4)7(13)12(5)9/h5,10H,9H2,1-4H3
InChIKeyMEGIPHDTARVRJC-UHFFFAOYSA-N
XLogP0.84
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione?
The IUPAC name of 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione (CID 151318752) is 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione.
What is the SMILES notation for 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione?
The canonical SMILES for 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione is CC1NN=C(C(C)(C)C)C(=S)N1N.
What is the InChIKey of 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione?
The InChIKey is MEGIPHDTARVRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-5-10-11-6(8(2,3)4)7(13)12(5)9/h5,10H,9H2,1-4H3.
What are the key properties of 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione?
4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione has a molecular weight of 200.31 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-tert-butyl-3-methyl-2,3-dihydro-1,2,4-triazine-5-thione is sourced from PubChem (CID 151318752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).