7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine

C13H13N5OS — CID 11033489

IUPAC7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCOc1ccc(-c2cc3nc(N)nc(SC)n3n2)cc1
InChIInChI=1S/C13H13N5OS/c1-19-9-5-3-8(4-6-9)10-7-11-15-12(14)16-13(20-2)18(11)17-10/h3-7H,1-2H3,(H2,14,15)
InChIKeyNBGAFHHCCDAKNS-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.10
Rot. Bonds3

About 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine

7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine (PubChem CID 11033489) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
PubChem CID11033489
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
SMILESCOc1ccc(-c2cc3nc(N)nc(SC)n3n2)cc1
InChIInChI=1S/C13H13N5OS/c1-19-9-5-3-8(4-6-9)10-7-11-15-12(14)16-13(20-2)18(11)17-10/h3-7H,1-2H3,(H2,14,15)
InChIKeyNBGAFHHCCDAKNS-UHFFFAOYSA-N
XLogP2.10
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217443
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556371
2-(dichloromethyl)-7-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazolo[1,5-a][1,3,5]triazine
CID 139582371
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
4-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75360175
5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 10087082
6-(4-ethoxyphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217459
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877668
5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 974686
7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 1441053

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine?
The IUPAC name of 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine (CID 11033489) is 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine is COc1ccc(-c2cc3nc(N)nc(SC)n3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine?
The InChIKey is NBGAFHHCCDAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-19-9-5-3-8(4-6-9)10-7-11-15-12(14)16-13(20-2)18(11)17-10/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine?
7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine is sourced from PubChem (CID 11033489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).