3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one

C12H14N4O — CID 135797532

IUPAC3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SMILESCC(C)N1CNc2nc3ccccc3n2C1=O
InChIInChI=1S/C12H14N4O/c1-8(2)15-7-13-11-14-9-5-3-4-6-10(9)16(11)12(15)17/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyDHEHBCUTSGLURC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.10
Rot. Bonds1

About 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one

3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one (PubChem CID 135797532) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
PubChem CID135797532
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
SMILESCC(C)N1CNc2nc3ccccc3n2C1=O
InChIInChI=1S/C12H14N4O/c1-8(2)15-7-13-11-14-9-5-3-4-6-10(9)16(11)12(15)17/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyDHEHBCUTSGLURC-UHFFFAOYSA-N
XLogP2.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one (CID 135797532) is 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one is CC(C)N1CNc2nc3ccccc3n2C1=O.
What is the InChIKey of 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
The InChIKey is DHEHBCUTSGLURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(2)15-7-13-11-14-9-5-3-4-6-10(9)16(11)12(15)17/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one?
3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one has a molecular weight of 230.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 135797532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).