4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H12N6OS — CID 80883813

IUPAC4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccccc1Sc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H12N6OS/c1-20-9-5-2-3-6-10(9)21-13-17-11(14)16-12(18-13)19-8-4-7-15-19/h2-8H,1H3,(H2,14,16,17,18)
InChIKeyQOHPDYBXRWCIMB-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.80
Rot. Bonds4

About 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80883813) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80883813
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOc1ccccc1Sc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C13H12N6OS/c1-20-9-5-2-3-6-10(9)21-13-17-11(14)16-12(18-13)19-8-4-7-15-19/h2-8H,1H3,(H2,14,16,17,18)
InChIKeyQOHPDYBXRWCIMB-UHFFFAOYSA-N
XLogP1.80
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80883602
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
2-N,2-N-diethyl-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883814
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
methyl 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 80886072
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894397
2,4-dichloro-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62868242
2-chloro-4-(2-methoxyphenyl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62865626

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80883813) is 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is COc1ccccc1Sc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QOHPDYBXRWCIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-20-9-5-2-3-6-10(9)21-13-17-11(14)16-12(18-13)19-8-4-7-15-19/h2-8H,1H3,(H2,14,16,17,18).
What are the key properties of 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 300.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80883813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).