5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid

C10H13N3O2 — CID 117213219

IUPAC5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CNC2CCC2)cn1
InChIInChI=1S/C10H13N3O2/c14-10(15)9-6-12-8(5-13-9)4-11-7-2-1-3-7/h5-7,11H,1-4H2,(H,14,15)
InChIKeyKIZFRDUYHJYQQU-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.82
Rot. Bonds4

About 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid

5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid (PubChem CID 117213219) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
PubChem CID117213219
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(CNC2CCC2)cn1
InChIInChI=1S/C10H13N3O2/c14-10(15)9-6-12-8(5-13-9)4-11-7-2-1-3-7/h5-7,11H,1-4H2,(H,14,15)
InChIKeyKIZFRDUYHJYQQU-UHFFFAOYSA-N
XLogP0.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid
CID 174756624
5-(ethylaminomethyl)pyrazine-2-carboxylic acid
CID 105439294
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
N,N-dimethyl-4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxamide
CID 83261720
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
N-[[5-(2,2-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107380178
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
5-(methylsulfanylmethyl)pyrazine-2-carboxylic acid
CID 117213283
N-(pyrazin-2-ylmethyl)cyclopentanamine
CID 60985603
5-cyclopentylpyrazine-2-carboxylic acid
CID 135241231

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid (CID 117213219) is 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(CNC2CCC2)cn1.
What is the InChIKey of 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid?
The InChIKey is KIZFRDUYHJYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)9-6-12-8(5-13-9)4-11-7-2-1-3-7/h5-7,11H,1-4H2,(H,14,15).
What are the key properties of 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid?
5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylamino)methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 117213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).