6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione

C9H15N3O2 — CID 167062703

IUPAC6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione
SMILESCCCC(C)n1nc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-4-5-6(2)12-9(14)10-8(13)7(3)11-12/h6H,4-5H2,1-3H3,(H,10,13,14)
InChIKeyRGAOUEMKPDNHNS-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.60
Rot. Bonds3

About 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione

6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione (PubChem CID 167062703) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione
PubChem CID167062703
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione
SMILESCCCC(C)n1nc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-4-5-6(2)12-9(14)10-8(13)7(3)11-12/h6H,4-5H2,1-3H3,(H,10,13,14)
InChIKeyRGAOUEMKPDNHNS-UHFFFAOYSA-N
XLogP0.60
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione (CID 167062703) is 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione is CCCC(C)n1nc(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione?
The InChIKey is RGAOUEMKPDNHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-6(2)12-9(14)10-8(13)7(3)11-12/h6H,4-5H2,1-3H3,(H,10,13,14).
What are the key properties of 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione?
6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione has a molecular weight of 197.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 167062703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).