3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol

C7H12N4OS — CID 83084222

IUPAC3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol
SMILESCSc1nc(N)nc(CCCO)n1
InChIInChI=1S/C7H12N4OS/c1-13-7-10-5(3-2-4-12)9-6(8)11-7/h12H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyJPSMIEZYJJAHCI-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.10
Rot. Bonds4

About 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol

3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol (PubChem CID 83084222) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol
PubChem CID83084222
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol
SMILESCSc1nc(N)nc(CCCO)n1
InChIInChI=1S/C7H12N4OS/c1-13-7-10-5(3-2-4-12)9-6(8)11-7/h12H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeyJPSMIEZYJJAHCI-UHFFFAOYSA-N
XLogP0.10
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol?
The IUPAC name of 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol (CID 83084222) is 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol is CSc1nc(N)nc(CCCO)n1.
What is the InChIKey of 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol?
The InChIKey is JPSMIEZYJJAHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-13-7-10-5(3-2-4-12)9-6(8)11-7/h12H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol?
3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol has a molecular weight of 200.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol is sourced from PubChem (CID 83084222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).