[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid

C10H14N4O2 — CID 174756624

IUPAC[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid
SMILESO=C(O)Nc1cnc(CNC2CCC2)cn1
InChIInChI=1S/C10H14N4O2/c15-10(16)14-9-6-12-8(5-13-9)4-11-7-2-1-3-7/h5-7,11H,1-4H2,(H,13,14)(H,15,16)
InChIKeyQWPGNRCRKXLKMY-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.21
Rot. Bonds4

About [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid

[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid (PubChem CID 174756624) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid
PubChem CID174756624
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid
SMILESO=C(O)Nc1cnc(CNC2CCC2)cn1
InChIInChI=1S/C10H14N4O2/c15-10(16)14-9-6-12-8(5-13-9)4-11-7-2-1-3-7/h5-7,11H,1-4H2,(H,13,14)(H,15,16)
InChIKeyQWPGNRCRKXLKMY-UHFFFAOYSA-N
XLogP1.21
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid?
The IUPAC name of [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid (CID 174756624) is [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid.
What is the SMILES notation for [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid?
The canonical SMILES for [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid is O=C(O)Nc1cnc(CNC2CCC2)cn1.
What is the InChIKey of [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid?
The InChIKey is QWPGNRCRKXLKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-10(16)14-9-6-12-8(5-13-9)4-11-7-2-1-3-7/h5-7,11H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid?
[5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid has a molecular weight of 222.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(cyclobutylamino)methyl]pyrazin-2-yl]carbamic acid is sourced from PubChem (CID 174756624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).