5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine

C7H9N3S — CID 3053036

IUPAC5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(C2CC2)n1
InChIInChI=1S/C7H9N3S/c1-11-7-9-6(4-8-10-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyYEXGZTRYYPXSAQ-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.47
Rot. Bonds2

About 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine

5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine (PubChem CID 3053036) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine
PubChem CID3053036
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(C2CC2)n1
InChIInChI=1S/C7H9N3S/c1-11-7-9-6(4-8-10-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyYEXGZTRYYPXSAQ-UHFFFAOYSA-N
XLogP1.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine (CID 3053036) is 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine is CSc1nncc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is YEXGZTRYYPXSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-11-7-9-6(4-8-10-7)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine?
5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 167.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 3053036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).