1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione

C10H13N5O2 — CID 177160752

IUPAC1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)c1cnc(N2CCC(=O)NC2=O)nn1
InChIInChI=1S/C10H13N5O2/c1-6(2)7-5-11-9(14-13-7)15-4-3-8(16)12-10(15)17/h5-6H,3-4H2,1-2H3,(H,12,16,17)
InChIKeyRPUDHRNEUXOKBP-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.44
Rot. Bonds2

About 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione

1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 177160752) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
PubChem CID177160752
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione
SMILESCC(C)c1cnc(N2CCC(=O)NC2=O)nn1
InChIInChI=1S/C10H13N5O2/c1-6(2)7-5-11-9(14-13-7)15-4-3-8(16)12-10(15)17/h5-6H,3-4H2,1-2H3,(H,12,16,17)
InChIKeyRPUDHRNEUXOKBP-UHFFFAOYSA-N
XLogP0.44
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-propan-2-ylpyridazin-4-yl)-1,3-diazinane-2,4-dione
CID 168752423
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-[1-(4-propan-2-ylphenyl)triazol-4-yl]-1,3-diazinane-2,4-dione
CID 177356043
1-[4-(4-propan-2-ylphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167923462
1-[2-methyl-3-[(Z)-3-methylbut-1-enyl]imidazol-4-yl]-1,3-diazinane-2,4-dione
CID 156860589
1-[5-(3-piperazin-1-ylazetidin-1-yl)pyrimidin-2-yl]-1,3-diazinane-2,4-dione
CID 177363474
1-(7-propan-2-yl-3H-benzimidazol-4-yl)-1,3-diazinane-2,4-dione
CID 167282385
1-(2-methyl-3-propan-2-ylphenyl)-1,3-diazinane-2,4-dione
CID 170954148
1-[2,4-di(propan-2-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167282782
1-[5-(2,4-dioxo-1,3-diazinan-1-yl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 170163995
1-(8-methoxy-7-propan-2-ylisoquinolin-4-yl)-1,3-diazinane-2,4-dione
CID 164567682

Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione (CID 177160752) is 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione is CC(C)c1cnc(N2CCC(=O)NC2=O)nn1.
What is the InChIKey of 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is RPUDHRNEUXOKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6(2)7-5-11-9(14-13-7)15-4-3-8(16)12-10(15)17/h5-6H,3-4H2,1-2H3,(H,12,16,17).
What are the key properties of 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione?
1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 235.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-yl-1,2,4-triazin-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177160752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).