N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide

C9H12N4O2 — CID 43594837

IUPACN-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESNC1CC(NC(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C9H12N4O2/c10-5-1-6(2-5)13-9(15)7-3-12-8(14)4-11-7/h3-6H,1-2,10H2,(H,12,14)(H,13,15)
InChIKeyORVATGRRCPQQQI-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.01
Rot. Bonds2

About N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 43594837) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID43594837
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESNC1CC(NC(=O)c2c[nH]c(=O)cn2)C1
InChIInChI=1S/C9H12N4O2/c10-5-1-6(2-5)13-9(15)7-3-12-8(14)4-11-7/h3-6H,1-2,10H2,(H,12,14)(H,13,15)
InChIKeyORVATGRRCPQQQI-UHFFFAOYSA-N
XLogP-1.01
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 114383349
N-(2-methylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 90081940
6-oxo-N-propyl-1H-pyrazine-3-carboxamide
CID 108474666
N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 118264842
N-butyl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999720
6-oxo-N-propan-2-yl-1H-pyrazine-2-carboxamide
CID 172999875
N-butan-2-yl-6-oxo-1H-pyrazine-2-carboxamide
CID 172999904
6-oxo-N-propyl-1H-pyrazine-2-carboxamide
CID 173000031
5-(1,4-diazepane-1-carbonyl)-1H-pyrazin-2-one
CID 28788637
6-oxo-N-piperidin-4-yl-1H-pyrazine-3-carboxamide
CID 43167653
6-oxo-N-(3-piperazin-1-ylpropyl)-1H-pyrazine-3-carboxamide
CID 43443306
5-(4-aminopiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 43556262

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 43594837) is N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide is NC1CC(NC(=O)c2c[nH]c(=O)cn2)C1.
What is the InChIKey of N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is ORVATGRRCPQQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-5-1-6(2-5)13-9(15)7-3-12-8(14)4-11-7/h3-6H,1-2,10H2,(H,12,14)(H,13,15).
What are the key properties of N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 43594837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).