1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine

C9H10N4S — CID 14002391

IUPAC1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine
SMILESCS1=NC(c2ccccc2)=NC(N)=N1
InChIInChI=1S/C9H10N4S/c1-14-12-8(11-9(10)13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyFLQMSSFWTRJGDZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.11
Rot. Bonds1

About 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine

1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine (PubChem CID 14002391) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine.

Molecular Properties

Compound Name1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine
PubChem CID14002391
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine
SMILESCS1=NC(c2ccccc2)=NC(N)=N1
InChIInChI=1S/C9H10N4S/c1-14-12-8(11-9(10)13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12,13)
InChIKeyFLQMSSFWTRJGDZ-UHFFFAOYSA-N
XLogP1.11
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
The IUPAC name of 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine (CID 14002391) is 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine.
What is the SMILES notation for 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
The canonical SMILES for 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine is CS1=NC(c2ccccc2)=NC(N)=N1.
What is the InChIKey of 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
The InChIKey is FLQMSSFWTRJGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-12-8(11-9(10)13-14)7-5-3-2-4-6-7/h2-6H,1H3,(H2,10,11,12,13).
What are the key properties of 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine has a molecular weight of 206.27 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine is sourced from PubChem (CID 14002391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).