6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride

C12H18ClN3S — CID 134119508

IUPAC6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
SMILESCCN1CN=C(SCc2ccccc2)NC1.Cl
InChIInChI=1S/C12H17N3S.ClH/c1-2-15-9-13-12(14-10-15)16-8-11-6-4-3-5-7-11;/h3-7H,2,8-10H2,1H3,(H,13,14);1H
InChIKeyPPKOZAFHFXYEGV-UHFFFAOYSA-N
MW271.82 g/mol
LogP2.54
Rot. Bonds3

About 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride

6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride (PubChem CID 134119508) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride.

Molecular Properties

Compound Name6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
PubChem CID134119508
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
SMILESCCN1CN=C(SCc2ccccc2)NC1.Cl
InChIInChI=1S/C12H17N3S.ClH/c1-2-15-9-13-12(14-10-15)16-8-11-6-4-3-5-7-11;/h3-7H,2,8-10H2,1H3,(H,13,14);1H
InChIKeyPPKOZAFHFXYEGV-UHFFFAOYSA-N
XLogP2.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride?
The IUPAC name of 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride (CID 134119508) is 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride.
What is the SMILES notation for 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride?
The canonical SMILES for 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride is CCN1CN=C(SCc2ccccc2)NC1.Cl.
What is the InChIKey of 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride?
The InChIKey is PPKOZAFHFXYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S.ClH/c1-2-15-9-13-12(14-10-15)16-8-11-6-4-3-5-7-11;/h3-7H,2,8-10H2,1H3,(H,13,14);1H.
What are the key properties of 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride?
6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride has a molecular weight of 271.82 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-3-ethyl-2,4-dihydro-1H-1,3,5-triazine;hydrochloride is sourced from PubChem (CID 134119508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).