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

C7H15N3OS — CID 2806903

IUPAC3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol
SMILESCSC1=NCN(CCCO)CN1
InChIInChI=1S/C7H15N3OS/c1-12-7-8-5-10(6-9-7)3-2-4-11/h11H,2-6H2,1H3,(H,8,9)
InChIKeyOSJPWTFQPIXFFQ-UHFFFAOYSA-N
MW189.28 g/mol
LogP-0.09
Rot. Bonds3

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

3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol (PubChem CID 2806903) has the molecular formula C7H15N3OS and a molecular weight of 189.28 g/mol. Its IUPAC name is 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol
PubChem CID2806903
Molecular FormulaC7H15N3OS
Molecular Weight189.28 g/mol
Exact Mass189.09
IUPAC Name3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol
SMILESCSC1=NCN(CCCO)CN1
InChIInChI=1S/C7H15N3OS/c1-12-7-8-5-10(6-9-7)3-2-4-11/h11H,2-6H2,1H3,(H,8,9)
InChIKeyOSJPWTFQPIXFFQ-UHFFFAOYSA-N
XLogP-0.09
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol?
The IUPAC name of 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol (CID 2806903) is 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol is CSC1=NCN(CCCO)CN1.
What is the InChIKey of 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol?
The InChIKey is OSJPWTFQPIXFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3OS/c1-12-7-8-5-10(6-9-7)3-2-4-11/h11H,2-6H2,1H3,(H,8,9).
What are the key properties of 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol?
3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol has a molecular weight of 189.28 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)propan-1-ol is sourced from PubChem (CID 2806903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).