[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid

C9H10ClN3O3 — CID 87415605

IUPAC[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2nccnc2Cl)C1
InChIInChI=1S/C9H10ClN3O3/c10-7-8(12-2-1-11-7)16-6-3-5(4-6)13-9(14)15/h1-2,5-6,13H,3-4H2,(H,14,15)
InChIKeyPBQSNLNKCZEYII-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.31
Rot. Bonds3

About [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid

[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid (PubChem CID 87415605) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid
PubChem CID87415605
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2nccnc2Cl)C1
InChIInChI=1S/C9H10ClN3O3/c10-7-8(12-2-1-11-7)16-6-3-5(4-6)13-9(14)15/h1-2,5-6,13H,3-4H2,(H,14,15)
InChIKeyPBQSNLNKCZEYII-UHFFFAOYSA-N
XLogP1.31
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid?
The IUPAC name of [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid (CID 87415605) is [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid.
What is the SMILES notation for [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid?
The canonical SMILES for [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid is O=C(O)NC1CC(Oc2nccnc2Cl)C1.
What is the InChIKey of [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid?
The InChIKey is PBQSNLNKCZEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-7-8(12-2-1-11-7)16-6-3-5(4-6)13-9(14)15/h1-2,5-6,13H,3-4H2,(H,14,15).
What are the key properties of [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid?
[3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid has a molecular weight of 243.65 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloropyrazin-2-yl)oxycyclobutyl]carbamic acid is sourced from PubChem (CID 87415605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).