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

C6H8N4O2 — CID 43410691

IUPAC6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CC2)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c11-5-4(7-3-1-2-3)9-10-6(12)8-5/h3H,1-2H2,(H,7,9)(H2,8,10,11,12)
InChIKeyZJAWHCLOVJUWFX-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.97
Rot. Bonds2

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

6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410691) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410691
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CC2)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2/c11-5-4(7-3-1-2-3)9-10-6(12)8-5/h3H,1-2H2,(H,7,9)(H2,8,10,11,12)
InChIKeyZJAWHCLOVJUWFX-UHFFFAOYSA-N
XLogP-0.97
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410691) is 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CC2)c(=O)[nH]1.
What is the InChIKey of 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ZJAWHCLOVJUWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c11-5-4(7-3-1-2-3)9-10-6(12)8-5/h3H,1-2H2,(H,7,9)(H2,8,10,11,12).
What are the key properties of 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione?
6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 168.16 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).