4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

C6H8N4OS — CID 82018063

IUPAC4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESNn1c(=S)[nH]nc(C2CC2)c1=O
InChIInChI=1S/C6H8N4OS/c7-10-5(11)4(3-1-2-3)8-9-6(10)12/h3H,1-2,7H2,(H,9,12)
InChIKeySJNRLBPADHNCKM-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.11
Rot. Bonds1

About 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (PubChem CID 82018063) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
PubChem CID82018063
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESNn1c(=S)[nH]nc(C2CC2)c1=O
InChIInChI=1S/C6H8N4OS/c7-10-5(11)4(3-1-2-3)8-9-6(10)12/h3H,1-2,7H2,(H,9,12)
InChIKeySJNRLBPADHNCKM-UHFFFAOYSA-N
XLogP-0.11
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (CID 82018063) is 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is Nn1c(=S)[nH]nc(C2CC2)c1=O.
What is the InChIKey of 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The InChIKey is SJNRLBPADHNCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c7-10-5(11)4(3-1-2-3)8-9-6(10)12/h3H,1-2,7H2,(H,9,12).
What are the key properties of 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one has a molecular weight of 184.22 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopropyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 82018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).