6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine

C9H10ClF2N3 — CID 130748057

IUPAC6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
SMILESFC1(F)CC(CNc2cncc(Cl)n2)C1
InChIInChI=1S/C9H10ClF2N3/c10-7-4-13-5-8(15-7)14-3-6-1-9(11,12)2-6/h4-6H,1-3H2,(H,14,15)
InChIKeyCMVGIOPVAWNEOI-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.59
Rot. Bonds3

About 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine

6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine (PubChem CID 130748057) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
PubChem CID130748057
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine
SMILESFC1(F)CC(CNc2cncc(Cl)n2)C1
InChIInChI=1S/C9H10ClF2N3/c10-7-4-13-5-8(15-7)14-3-6-1-9(11,12)2-6/h4-6H,1-3H2,(H,14,15)
InChIKeyCMVGIOPVAWNEOI-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine (CID 130748057) is 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine is FC1(F)CC(CNc2cncc(Cl)n2)C1.
What is the InChIKey of 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
The InChIKey is CMVGIOPVAWNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-7-4-13-5-8(15-7)14-3-6-1-9(11,12)2-6/h4-6H,1-3H2,(H,14,15).
What are the key properties of 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine?
6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine has a molecular weight of 233.65 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3,3-difluorocyclobutyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 130748057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).