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

C10H16N4O2 — CID 43410686

IUPAC6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9-8(13-14-10(16)12-9)11-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,11,13)(H2,12,14,15,16)
InChIKeyDIGFUQTYVBVKPL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.59
Rot. Bonds2

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

6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410686) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410686
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9-8(13-14-10(16)12-9)11-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,11,13)(H2,12,14,15,16)
InChIKeyDIGFUQTYVBVKPL-UHFFFAOYSA-N
XLogP0.59
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410686) is 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CCCCCC2)c(=O)[nH]1.
What is the InChIKey of 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DIGFUQTYVBVKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9-8(13-14-10(16)12-9)11-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione?
6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 224.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).