4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine

C7H15N5S — CID 137281586

IUPAC4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine
SMILESCSC1=C/C(=N\C(C)C)NN(N)N1
InChIInChI=1S/C7H15N5S/c1-5(2)9-6-4-7(13-3)11-12(8)10-6/h4-5,11H,8H2,1-3H3,(H,9,10)
InChIKeyISJXLSFOKZWRLO-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.20
Rot. Bonds2

About 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine

4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine (PubChem CID 137281586) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine
PubChem CID137281586
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC Name4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine
SMILESCSC1=C/C(=N\C(C)C)NN(N)N1
InChIInChI=1S/C7H15N5S/c1-5(2)9-6-4-7(13-3)11-12(8)10-6/h4-5,11H,8H2,1-3H3,(H,9,10)
InChIKeyISJXLSFOKZWRLO-UHFFFAOYSA-N
XLogP0.20
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine (CID 137281586) is 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine is CSC1=C/C(=N\C(C)C)NN(N)N1.
What is the InChIKey of 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine?
The InChIKey is ISJXLSFOKZWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-5(2)9-6-4-7(13-3)11-12(8)10-6/h4-5,11H,8H2,1-3H3,(H,9,10).
What are the key properties of 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine?
4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine has a molecular weight of 201.30 g/mol, XLogP of 0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-propan-2-ylimino-1,3-dihydrotriazin-2-amine is sourced from PubChem (CID 137281586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).