4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

C8H12N8OS — CID 80887985

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H12N8OS/c1-3-4-17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)2/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyFMXLLZUCFUYOCW-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.08
Rot. Bonds5

About 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine

4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80887985) has the molecular formula C8H12N8OS and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80887985
Molecular FormulaC8H12N8OS
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H12N8OS/c1-3-4-17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)2/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyFMXLLZUCFUYOCW-UHFFFAOYSA-N
XLogP-0.08
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80886826
4-(1-methyltetrazol-5-yl)sulfanyl-2-propoxyaniline
CID 63678022
4-(4-propan-2-ylphenyl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80872646
4-(3-methylbutan-2-ylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107765495
N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
4-propoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887884
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propoxy-1,3,5-triazin-2-amine
CID 80888591
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80892017
2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 55125472
4-chloro-N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80888245
4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80858156
[4-(1-methylimidazol-2-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80922420

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine (CID 80887985) is 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(Sc2nnnn2C)n1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is FMXLLZUCFUYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8OS/c1-3-4-17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)2/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine?
4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 268.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).