4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C9H10N6OS — CID 80891024

IUPAC4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SC2COC2)nc(-n2cccn2)n1
InChIInChI=1S/C9H10N6OS/c10-7-12-8(15-3-1-2-11-15)14-9(13-7)17-6-4-16-5-6/h1-3,6H,4-5H2,(H2,10,12,13,14)
InChIKeyOUPVGCMZPNAPPY-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.13
Rot. Bonds3

About 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80891024) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80891024
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(SC2COC2)nc(-n2cccn2)n1
InChIInChI=1S/C9H10N6OS/c10-7-12-8(15-3-1-2-11-15)14-9(13-7)17-6-4-16-5-6/h1-3,6H,4-5H2,(H2,10,12,13,14)
InChIKeyOUPVGCMZPNAPPY-UHFFFAOYSA-N
XLogP0.13
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-methylcyclohexyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80889900
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894397
2-N-(oxolan-3-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80853473
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
4-(3-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80895321
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232

Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80891024) is 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(SC2COC2)nc(-n2cccn2)n1.
What is the InChIKey of 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OUPVGCMZPNAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c10-7-12-8(15-3-1-2-11-15)14-9(13-7)17-6-4-16-5-6/h1-3,6H,4-5H2,(H2,10,12,13,14).
What are the key properties of 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 250.29 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80891024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).