4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine

C9H12N6OS — CID 80892258

IUPAC4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Sc2cnn(C)c2)n1
InChIInChI=1S/C9H12N6OS/c1-10-7-12-8(16-3)14-9(13-7)17-6-4-11-15(2)5-6/h4-5H,1-3H3,(H,10,12,13,14)
InChIKeyKVIURZVUXRDBOO-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.81
Rot. Bonds4

About 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine

4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 80892258) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID80892258
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Sc2cnn(C)c2)n1
InChIInChI=1S/C9H12N6OS/c1-10-7-12-8(16-3)14-9(13-7)17-6-4-11-15(2)5-6/h4-5H,1-3H3,(H,10,12,13,14)
InChIKeyKVIURZVUXRDBOO-UHFFFAOYSA-N
XLogP0.81
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
[4-(1-methylpyrazol-4-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80923841
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
4-hydrazinyl-N,N-dimethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80923499
2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80882617
4-(1H-imidazol-2-ylsulfanyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 107784913
4-tert-butylsulfanyl-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80888350
6-methoxy-2-(1-methylpyrazol-4-yl)sulfanylpyridin-3-amine
CID 115321381
4-methoxy-N-methyl-6-propylsulfanyl-1,3,5-triazin-2-amine
CID 80886919
6-(1-methylpyrazol-4-yl)sulfanylpyrimidine-2,4-diamine
CID 80892034
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine (CID 80892258) is 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Sc2cnn(C)c2)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is KVIURZVUXRDBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-10-7-12-8(16-3)14-9(13-7)17-6-4-11-15(2)5-6/h4-5H,1-3H3,(H,10,12,13,14).
What are the key properties of 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 252.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80892258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).