3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol

C10H14N6OS — CID 80891108

IUPAC3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6OS/c1-7(3-6-17)18-10-14-8(11)13-9(15-10)16-5-2-4-12-16/h2,4-5,7,17H,3,6H2,1H3,(H2,11,13,14,15)
InChIKeyCVFHFTGNUYXTQA-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.50
Rot. Bonds5

About 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol

3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol (PubChem CID 80891108) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
PubChem CID80891108
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
SMILESCC(CCO)Sc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6OS/c1-7(3-6-17)18-10-14-8(11)13-9(15-10)16-5-2-4-12-16/h2,4-5,7,17H,3,6H2,1H3,(H2,11,13,14,15)
InChIKeyCVFHFTGNUYXTQA-UHFFFAOYSA-N
XLogP0.50
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
2-butan-2-ylsulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62865603
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
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
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]propan-1-ol
CID 104556974
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
4-(2-methoxyphenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883813
methyl 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]propanoate
CID 80886072
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775574

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol (CID 80891108) is 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol is CC(CCO)Sc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol?
The InChIKey is CVFHFTGNUYXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-7(3-6-17)18-10-14-8(11)13-9(15-10)16-5-2-4-12-16/h2,4-5,7,17H,3,6H2,1H3,(H2,11,13,14,15).
What are the key properties of 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol?
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol has a molecular weight of 266.33 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 80891108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).