3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one

C11H16N4O — CID 58423449

IUPAC3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)c1cn2ncn(C(C)C)c(=O)c2n1
InChIInChI=1S/C11H16N4O/c1-7(2)9-5-15-10(13-9)11(16)14(6-12-15)8(3)4/h5-8H,1-4H3
InChIKeyREAUEHSVZHDIDS-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.60
Rot. Bonds2

About 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one

3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 58423449) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID58423449
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one
SMILESCC(C)c1cn2ncn(C(C)C)c(=O)c2n1
InChIInChI=1S/C11H16N4O/c1-7(2)9-5-15-10(13-9)11(16)14(6-12-15)8(3)4/h5-8H,1-4H3
InChIKeyREAUEHSVZHDIDS-UHFFFAOYSA-N
XLogP1.60
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one (CID 58423449) is 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one is CC(C)c1cn2ncn(C(C)C)c(=O)c2n1.
What is the InChIKey of 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is REAUEHSVZHDIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)9-5-15-10(13-9)11(16)14(6-12-15)8(3)4/h5-8H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one?
3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 220.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 58423449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).