2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

C10H16N8S — CID 80885418

IUPAC2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H16N8S/c1-4-18(5-2)8-13-7(11)14-9(15-8)19-10-12-6(3)16-17-10/h4-5H2,1-3H3,(H,12,16,17)(H2,11,13,14,15)
InChIKeySLLGVOPMHWENJG-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.88
Rot. Bonds5

About 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80885418) has the molecular formula C10H16N8S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
PubChem CID80885418
Molecular FormulaC10H16N8S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2n[nH]c(C)n2)n1
InChIInChI=1S/C10H16N8S/c1-4-18(5-2)8-13-7(11)14-9(15-8)19-10-12-6(3)16-17-10/h4-5H2,1-3H3,(H,12,16,17)(H2,11,13,14,15)
InChIKeySLLGVOPMHWENJG-UHFFFAOYSA-N
XLogP0.88
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine (CID 80885418) is 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2n[nH]c(C)n2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SLLGVOPMHWENJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8S/c1-4-18(5-2)8-13-7(11)14-9(15-8)19-10-12-6(3)16-17-10/h4-5H2,1-3H3,(H,12,16,17)(H2,11,13,14,15).
What are the key properties of 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 280.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80885418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).