2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one

C9H15N5O — CID 602101

IUPAC2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCN(CC)c1nc2n(c(=O)n1)CCN2
InChIInChI=1S/C9H15N5O/c1-3-13(4-2)8-11-7-10-5-6-14(7)9(15)12-8/h3-6H2,1-2H3,(H,10,11,12,15)
InChIKeyKMLIQBVWMNSIBR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.09
Rot. Bonds3

About 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one

2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 602101) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID602101
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCN(CC)c1nc2n(c(=O)n1)CCN2
InChIInChI=1S/C9H15N5O/c1-3-13(4-2)8-11-7-10-5-6-14(7)9(15)12-8/h3-6H2,1-2H3,(H,10,11,12,15)
InChIKeyKMLIQBVWMNSIBR-UHFFFAOYSA-N
XLogP-0.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one (CID 602101) is 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one is CCN(CC)c1nc2n(c(=O)n1)CCN2.
What is the InChIKey of 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is KMLIQBVWMNSIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-13(4-2)8-11-7-10-5-6-14(7)9(15)12-8/h3-6H2,1-2H3,(H,10,11,12,15).
What are the key properties of 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one?
2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 602101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).