2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide

C11H17N3O3 — CID 140510137

IUPAC2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide
SMILESCC(C(N)=O)c1cnc([C@H](O)C(C)(C)O)cn1
InChIInChI=1S/C11H17N3O3/c1-6(10(12)16)7-4-14-8(5-13-7)9(15)11(2,3)17/h4-6,9,15,17H,1-3H3,(H2,12,16)/t6?,9-/m0/s1
InChIKeyAYGPVMJGBNVISR-HSOSERFQSA-N
MW239.28 g/mol
LogP-0.13
Rot. Bonds4

About 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide

2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide (PubChem CID 140510137) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide
PubChem CID140510137
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide
SMILESCC(C(N)=O)c1cnc([C@H](O)C(C)(C)O)cn1
InChIInChI=1S/C11H17N3O3/c1-6(10(12)16)7-4-14-8(5-13-7)9(15)11(2,3)17/h4-6,9,15,17H,1-3H3,(H2,12,16)/t6?,9-/m0/s1
InChIKeyAYGPVMJGBNVISR-HSOSERFQSA-N
XLogP-0.13
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide?
The IUPAC name of 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide (CID 140510137) is 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide.
What is the SMILES notation for 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide?
The canonical SMILES for 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide is CC(C(N)=O)c1cnc([C@H](O)C(C)(C)O)cn1.
What is the InChIKey of 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide?
The InChIKey is AYGPVMJGBNVISR-HSOSERFQSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(10(12)16)7-4-14-8(5-13-7)9(15)11(2,3)17/h4-6,9,15,17H,1-3H3,(H2,12,16)/t6?,9-/m0/s1.
What are the key properties of 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide?
2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide has a molecular weight of 239.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1,2-dihydroxy-2-methylpropyl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 140510137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).