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

C10H17N5O — CID 592872

IUPAC2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCNc1nc2n(c(=O)n1)CCN2C(C)C
InChIInChI=1S/C10H17N5O/c1-4-11-8-12-9-14(7(2)3)5-6-15(9)10(16)13-8/h7H,4-6H2,1-3H3,(H,11,13,16)
InChIKeyVVMYZFIYZKGODK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.30
Rot. Bonds3

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

2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 592872) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID592872
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCNc1nc2n(c(=O)n1)CCN2C(C)C
InChIInChI=1S/C10H17N5O/c1-4-11-8-12-9-14(7(2)3)5-6-15(9)10(16)13-8/h7H,4-6H2,1-3H3,(H,11,13,16)
InChIKeyVVMYZFIYZKGODK-UHFFFAOYSA-N
XLogP0.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one (CID 592872) is 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is CCNc1nc2n(c(=O)n1)CCN2C(C)C.
What is the InChIKey of 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is VVMYZFIYZKGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-4-11-8-12-9-14(7(2)3)5-6-15(9)10(16)13-8/h7H,4-6H2,1-3H3,(H,11,13,16).
What are the key properties of 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one?
2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-propan-2-yl-6,7-dihydroimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 592872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).