8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

C11H19N5O — CID 766333

IUPAC8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C
InChIInChI=1S/C11H19N5O/c1-7(2)12-9-13-10-15(8(3)4)5-6-16(10)11(17)14-9/h7-8H,5-6H2,1-4H3,(H,12,14,17)
InChIKeyQNPRMDFYTBDCCP-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.69
Rot. Bonds3

About 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one

8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 766333) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID766333
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C
InChIInChI=1S/C11H19N5O/c1-7(2)12-9-13-10-15(8(3)4)5-6-16(10)11(17)14-9/h7-8H,5-6H2,1-4H3,(H,12,14,17)
InChIKeyQNPRMDFYTBDCCP-UHFFFAOYSA-N
XLogP0.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (CID 766333) is 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is CC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C.
What is the InChIKey of 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is QNPRMDFYTBDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)12-9-13-10-15(8(3)4)5-6-16(10)11(17)14-9/h7-8H,5-6H2,1-4H3,(H,12,14,17).
What are the key properties of 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 237.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2-(propan-2-ylamino)-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 766333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).