N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

C9H12N6O2S — CID 80892730

IUPACN-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2nnc(C)o2)n1
InChIInChI=1S/C9H12N6O2S/c1-4-10-6-11-7(16-3)13-8(12-6)18-9-15-14-5(2)17-9/h4H2,1-3H3,(H,10,11,12,13)
InChIKeyNNQNEKYTALMZBC-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.15
Rot. Bonds5

About N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80892730) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80892730
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC NameN-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCNc1nc(OC)nc(Sc2nnc(C)o2)n1
InChIInChI=1S/C9H12N6O2S/c1-4-10-6-11-7(16-3)13-8(12-6)18-9-15-14-5(2)17-9/h4H2,1-3H3,(H,10,11,12,13)
InChIKeyNNQNEKYTALMZBC-UHFFFAOYSA-N
XLogP1.15
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892353
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
N-ethyl-2,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80891600
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 80892730) is N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is CCNc1nc(OC)nc(Sc2nnc(C)o2)n1.
What is the InChIKey of N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is NNQNEKYTALMZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-4-10-6-11-7(16-3)13-8(12-6)18-9-15-14-5(2)17-9/h4H2,1-3H3,(H,10,11,12,13).
What are the key properties of N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 268.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80892730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).