(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane

C8H15N3S — CID 123721132

IUPAC(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane
SMILESCc1nnc(S(C)(C)C)nc1C
InChIInChI=1S/C8H15N3S/c1-6-7(2)10-11-8(9-6)12(3,4)5/h1-5H3
InChIKeyGNLGQRPLRYBUNR-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.54
Rot. Bonds1

About (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane

(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane (PubChem CID 123721132) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane
PubChem CID123721132
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane
SMILESCc1nnc(S(C)(C)C)nc1C
InChIInChI=1S/C8H15N3S/c1-6-7(2)10-11-8(9-6)12(3,4)5/h1-5H3
InChIKeyGNLGQRPLRYBUNR-UHFFFAOYSA-N
XLogP1.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane?
The IUPAC name of (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane (CID 123721132) is (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane?
The canonical SMILES for (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane is Cc1nnc(S(C)(C)C)nc1C.
What is the InChIKey of (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane?
The InChIKey is GNLGQRPLRYBUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-7(2)10-11-8(9-6)12(3,4)5/h1-5H3.
What are the key properties of (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane?
(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane has a molecular weight of 185.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 123721132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).