5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one

C9H12N4O2 — CID 62067809

IUPAC5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
SMILESNC1CCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C9H12N4O2/c10-6-1-2-13(5-6)9(15)7-3-12-8(14)4-11-7/h3-4,6H,1-2,5,10H2,(H,12,14)
InChIKeyQOJRDNTZLNNCPG-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.06
Rot. Bonds1

About 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one

5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one (PubChem CID 62067809) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
PubChem CID62067809
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
SMILESNC1CCN(C(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C9H12N4O2/c10-6-1-2-13(5-6)9(15)7-3-12-8(14)4-11-7/h3-4,6H,1-2,5,10H2,(H,12,14)
InChIKeyQOJRDNTZLNNCPG-UHFFFAOYSA-N
XLogP-1.06
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-amino-3-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 79880596
5-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 113348340
[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
5-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrazin-2-one
CID 43596062
5-[3-(aminomethyl)-4-methylpiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 114960606
(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone
CID 170767103
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64605803
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-3-sulfonamide
CID 61128657
2-oxo-5-[3-[(sulfamoylamino)methyl]piperidine-1-carbonyl]-1H-pyrazine
CID 61130865
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one (CID 62067809) is 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one is NC1CCN(C(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
The InChIKey is QOJRDNTZLNNCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-6-1-2-13(5-6)9(15)7-3-12-8(14)4-11-7/h3-4,6H,1-2,5,10H2,(H,12,14).
What are the key properties of 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one?
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one has a molecular weight of 208.22 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 62067809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).