3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one

C13H13N5O2 — CID 172791782

IUPAC3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-n2c(=O)[nH]c3nccnc32)cn1
InChIInChI=1S/C13H13N5O2/c1-13(2,20)9-4-3-8(7-16-9)18-11-10(17-12(18)19)14-5-6-15-11/h3-7,20H,1-2H3,(H,14,17,19)
InChIKeyPQWRUNVNWNVRHQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.73
Rot. Bonds2

About 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 172791782) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID172791782
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(O)c1ccc(-n2c(=O)[nH]c3nccnc32)cn1
InChIInChI=1S/C13H13N5O2/c1-13(2,20)9-4-3-8(7-16-9)18-11-10(17-12(18)19)14-5-6-15-11/h3-7,20H,1-2H3,(H,14,17,19)
InChIKeyPQWRUNVNWNVRHQ-UHFFFAOYSA-N
XLogP0.73
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 172791782) is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(O)c1ccc(-n2c(=O)[nH]c3nccnc32)cn1.
What is the InChIKey of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is PQWRUNVNWNVRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-13(2,20)9-4-3-8(7-16-9)18-11-10(17-12(18)19)14-5-6-15-11/h3-7,20H,1-2H3,(H,14,17,19).
What are the key properties of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 271.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 172791782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).