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

C8H14N4O2 — CID 43410670

IUPAC6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-4(2)5(3)9-6-7(13)10-8(14)12-11-6/h4-5H,1-3H3,(H,9,11)(H2,10,12,13,14)
InChIKeyJABDEQXZWOYONJ-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.09
Rot. Bonds3

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

6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410670) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410670
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-4(2)5(3)9-6-7(13)10-8(14)12-11-6/h4-5H,1-3H3,(H,9,11)(H2,10,12,13,14)
InChIKeyJABDEQXZWOYONJ-UHFFFAOYSA-N
XLogP-0.09
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410670) is 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is CC(C)C(C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JABDEQXZWOYONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(2)5(3)9-6-7(13)10-8(14)12-11-6/h4-5H,1-3H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione?
6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-ylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).