1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine

C9H19N3S — CID 67897258

IUPAC1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
SMILESCCN1CN(C(C)C)CN=C1SC
InChIInChI=1S/C9H19N3S/c1-5-11-7-12(8(2)3)6-10-9(11)13-4/h8H,5-7H2,1-4H3
InChIKeyMJJHQMVYCDWRCZ-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.67
Rot. Bonds2

About 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine

1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine (PubChem CID 67897258) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
PubChem CID67897258
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
SMILESCCN1CN(C(C)C)CN=C1SC
InChIInChI=1S/C9H19N3S/c1-5-11-7-12(8(2)3)6-10-9(11)13-4/h8H,5-7H2,1-4H3
InChIKeyMJJHQMVYCDWRCZ-UHFFFAOYSA-N
XLogP1.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine (CID 67897258) is 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine is CCN1CN(C(C)C)CN=C1SC.
What is the InChIKey of 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
The InChIKey is MJJHQMVYCDWRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-5-11-7-12(8(2)3)6-10-9(11)13-4/h8H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine?
1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine has a molecular weight of 201.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 67897258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).