5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one

C13H16N4O2 — CID 90277603

IUPAC5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one
SMILESCCC(CO)Nc1cncc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C13H16N4O2/c1-2-10(8-18)16-12-7-14-6-11(17-12)9-3-4-13(19)15-5-9/h3-7,10,18H,2,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyBJQXAFVCUJNZNQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.01
Rot. Bonds5

About 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one

5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one (PubChem CID 90277603) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one
PubChem CID90277603
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one
SMILESCCC(CO)Nc1cncc(-c2ccc(=O)[nH]c2)n1
InChIInChI=1S/C13H16N4O2/c1-2-10(8-18)16-12-7-14-6-11(17-12)9-3-4-13(19)15-5-9/h3-7,10,18H,2,8H2,1H3,(H,15,19)(H,16,17)
InChIKeyBJQXAFVCUJNZNQ-UHFFFAOYSA-N
XLogP1.01
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one (CID 90277603) is 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one is CCC(CO)Nc1cncc(-c2ccc(=O)[nH]c2)n1.
What is the InChIKey of 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one?
The InChIKey is BJQXAFVCUJNZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-10(8-18)16-12-7-14-6-11(17-12)9-3-4-13(19)15-5-9/h3-7,10,18H,2,8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one?
5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one has a molecular weight of 260.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(1-hydroxybutan-2-ylamino)pyrazin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).