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

C8H14N4O2 — CID 43410703

IUPAC6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-5(2)3-4-9-6-7(13)10-8(14)12-11-6/h5H,3-4H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyGSPNSGPFZGQROY-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.08
Rot. Bonds4

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

6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410703) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410703
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-5(2)3-4-9-6-7(13)10-8(14)12-11-6/h5H,3-4H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyGSPNSGPFZGQROY-UHFFFAOYSA-N
XLogP-0.08
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410703) is 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GSPNSGPFZGQROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)3-4-9-6-7(13)10-8(14)12-11-6/h5H,3-4H2,1-2H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione?
6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).