N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide

C10H11N5O3 — CID 125445219

IUPACN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESCc1noc([C@H](C)NC(=O)c2cncc(=O)[nH]2)n1
InChIInChI=1S/C10H11N5O3/c1-5(10-13-6(2)15-18-10)12-9(17)7-3-11-4-8(16)14-7/h3-5H,1-2H3,(H,12,17)(H,14,16)/t5-/m0/s1
InChIKeySIPDIYIANKNCIT-YFKPBYRVSA-N
MW249.23 g/mol
LogP-0.05
Rot. Bonds3

About N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 125445219) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID125445219
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC NameN-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESCc1noc([C@H](C)NC(=O)c2cncc(=O)[nH]2)n1
InChIInChI=1S/C10H11N5O3/c1-5(10-13-6(2)15-18-10)12-9(17)7-3-11-4-8(16)14-7/h3-5H,1-2H3,(H,12,17)(H,14,16)/t5-/m0/s1
InChIKeySIPDIYIANKNCIT-YFKPBYRVSA-N
XLogP-0.05
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide (CID 125445219) is N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide is Cc1noc([C@H](C)NC(=O)c2cncc(=O)[nH]2)n1.
What is the InChIKey of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is SIPDIYIANKNCIT-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-5(10-13-6(2)15-18-10)12-9(17)7-3-11-4-8(16)14-7/h3-5H,1-2H3,(H,12,17)(H,14,16)/t5-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide?
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 125445219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).