4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine

C9H13N7OS — CID 104604911

IUPAC4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2ncnn2C)n1
InChIInChI=1S/C9H13N7OS/c1-4-17-7-13-6(10-2)14-8(15-7)18-9-11-5-12-16(9)3/h5H,4H2,1-3H3,(H,10,13,14,15)
InChIKeyKRZWDQZSERSLTL-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.59
Rot. Bonds5

About 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 104604911) has the molecular formula C9H13N7OS and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID104604911
Molecular FormulaC9H13N7OS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(Sc2ncnn2C)n1
InChIInChI=1S/C9H13N7OS/c1-4-17-7-13-6(10-2)14-8(15-7)18-9-11-5-12-16(9)3/h5H,4H2,1-3H3,(H,10,13,14,15)
InChIKeyKRZWDQZSERSLTL-UHFFFAOYSA-N
XLogP0.59
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-N,2-N,4-N-trimethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 104604969
4-ethoxy-N-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80885176
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893393
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
2-ethyl-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605016
4-ethoxy-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853680
4-ethoxy-N-methyl-6-(1-methylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116794366
N-methyl-4-propoxy-6-(1,2,4-thiadiazol-5-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80894790
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
4-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 104604953

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 104604911) is 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(Sc2ncnn2C)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is KRZWDQZSERSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7OS/c1-4-17-7-13-6(10-2)14-8(15-7)18-9-11-5-12-16(9)3/h5H,4H2,1-3H3,(H,10,13,14,15).
What are the key properties of 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 267.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 104604911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).