5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione

C7H10N4S — CID 23412352

IUPAC5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione
SMILESCc1n[nH]c(=S)nc1NC1CC1
InChIInChI=1S/C7H10N4S/c1-4-6(8-5-2-3-5)9-7(12)11-10-4/h5H,2-3H2,1H3,(H2,8,9,11,12)
InChIKeyFOFVVOZHOOKDLQ-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.42
Rot. Bonds2

About 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione

5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione (PubChem CID 23412352) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione.

Molecular Properties

Compound Name5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione
PubChem CID23412352
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione
SMILESCc1n[nH]c(=S)nc1NC1CC1
InChIInChI=1S/C7H10N4S/c1-4-6(8-5-2-3-5)9-7(12)11-10-4/h5H,2-3H2,1H3,(H2,8,9,11,12)
InChIKeyFOFVVOZHOOKDLQ-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione?
The IUPAC name of 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione (CID 23412352) is 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione.
What is the SMILES notation for 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione?
The canonical SMILES for 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione is Cc1n[nH]c(=S)nc1NC1CC1.
What is the InChIKey of 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione?
The InChIKey is FOFVVOZHOOKDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-4-6(8-5-2-3-5)9-7(12)11-10-4/h5H,2-3H2,1H3,(H2,8,9,11,12).
What are the key properties of 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione?
5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione has a molecular weight of 182.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-6-methyl-2H-1,2,4-triazine-3-thione is sourced from PubChem (CID 23412352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).