6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C10H16N8S — CID 80889196

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2nnc(C)n2C)nc(N(C)C)n1
InChIInChI=1S/C10H16N8S/c1-6-15-16-10(18(6)5)19-9-13-7(11-2)12-8(14-9)17(3)4/h1-5H3,(H,11,12,13,14)
InChIKeyDYHYWYFLGWSXKW-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.57
Rot. Bonds4

About 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80889196) has the molecular formula C10H16N8S and a molecular weight of 280.36 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80889196
Molecular FormulaC10H16N8S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Sc2nnc(C)n2C)nc(N(C)C)n1
InChIInChI=1S/C10H16N8S/c1-6-15-16-10(18(6)5)19-9-13-7(11-2)12-8(14-9)17(3)4/h1-5H3,(H,11,12,13,14)
InChIKeyDYHYWYFLGWSXKW-UHFFFAOYSA-N
XLogP0.57
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 80889196) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Sc2nnc(C)n2C)nc(N(C)C)n1.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DYHYWYFLGWSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8S/c1-6-15-16-10(18(6)5)19-9-13-7(11-2)12-8(14-9)17(3)4/h1-5H3,(H,11,12,13,14).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 280.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80889196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).