3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine

C11H21N3S — CID 141169218

IUPAC3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
SMILESCSC1=NCN(C(C)(C)C)CN1C1CC1
InChIInChI=1S/C11H21N3S/c1-11(2,3)13-7-12-10(15-4)14(8-13)9-5-6-9/h9H,5-8H2,1-4H3
InChIKeyNOFOXABMSIFVBY-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.20
Rot. Bonds1

About 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine

3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine (PubChem CID 141169218) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
PubChem CID141169218
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
SMILESCSC1=NCN(C(C)(C)C)CN1C1CC1
InChIInChI=1S/C11H21N3S/c1-11(2,3)13-7-12-10(15-4)14(8-13)9-5-6-9/h9H,5-8H2,1-4H3
InChIKeyNOFOXABMSIFVBY-UHFFFAOYSA-N
XLogP2.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dimethyl-ethyl)-N'ethyl-6(methylthio)-S-triazine
CID 129731761
1-Ethyl-6-methylsulfanyl-3-propan-2-yl-2,4-dihydro-1,3,5-triazine
CID 67897258
1-tert-butyl-2-N-cyclopropyl-6-methylsulfanyl-2H-1,3,5-triazine-2,4-diamine
CID 91264230
5-Tert-butyl-6-cyclopropylimino-4-methylsulfanyl-1,4-dihydro-1,3,5-triazin-2-amine
CID 136337035
6-Methylsulfanyl-1,3-di(propan-2-yl)-2,4-dihydro-1,3,5-triazine
CID 140975193
3-Ethyl-1-(3-methylbutan-2-yl)-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
CID 141057769
1-tert-butyl-2-cyclopropyl-4-methylsulfanyl-2H-1,3,5-triazine
CID 141104429
3-Tert-butyl-1-methyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine
CID 149758894

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine (CID 141169218) is 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine is CSC1=NCN(C(C)(C)C)CN1C1CC1.
What is the InChIKey of 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
The InChIKey is NOFOXABMSIFVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-11(2,3)13-7-12-10(15-4)14(8-13)9-5-6-9/h9H,5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine?
3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine has a molecular weight of 227.38 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopropyl-6-methylsulfanyl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 141169218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).