3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide

C9H13N3O3 — CID 66893980

IUPAC3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide
SMILESNC(=O)CCc1cnc([C@@H](O)CO)cn1
InChIInChI=1S/C9H13N3O3/c10-9(15)2-1-6-3-12-7(4-11-6)8(14)5-13/h3-4,8,13-14H,1-2,5H2,(H2,10,15)/t8-/m0/s1
InChIKeyMOZRFFAPRXRBKQ-QMMMGPOBSA-N
MW211.22 g/mol
LogP-1.08
Rot. Bonds5

About 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide

3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide (PubChem CID 66893980) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide
PubChem CID66893980
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide
SMILESNC(=O)CCc1cnc([C@@H](O)CO)cn1
InChIInChI=1S/C9H13N3O3/c10-9(15)2-1-6-3-12-7(4-11-6)8(14)5-13/h3-4,8,13-14H,1-2,5H2,(H2,10,15)/t8-/m0/s1
InChIKeyMOZRFFAPRXRBKQ-QMMMGPOBSA-N
XLogP-1.08
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide?
The IUPAC name of 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide (CID 66893980) is 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide.
What is the SMILES notation for 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide?
The canonical SMILES for 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide is NC(=O)CCc1cnc([C@@H](O)CO)cn1.
What is the InChIKey of 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide?
The InChIKey is MOZRFFAPRXRBKQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-9(15)2-1-6-3-12-7(4-11-6)8(14)5-13/h3-4,8,13-14H,1-2,5H2,(H2,10,15)/t8-/m0/s1.
What are the key properties of 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide?
3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide has a molecular weight of 211.22 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1,2-dihydroxyethyl]pyrazin-2-yl]propanamide is sourced from PubChem (CID 66893980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).