6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine

C9H12ClN3O — CID 82729405

IUPAC6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
SMILESCC1OCCC1Nc1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-6-7(2-3-14-6)12-9-5-11-4-8(10)13-9/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyQVKADFYXDYQAPT-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.72
Rot. Bonds2

About 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine

6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine (PubChem CID 82729405) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
PubChem CID82729405
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine
SMILESCC1OCCC1Nc1cncc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-6-7(2-3-14-6)12-9-5-11-4-8(10)13-9/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyQVKADFYXDYQAPT-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine (CID 82729405) is 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine is CC1OCCC1Nc1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine?
The InChIKey is QVKADFYXDYQAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-7(2-3-14-6)12-9-5-11-4-8(10)13-9/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine?
6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine has a molecular weight of 213.67 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methyloxolan-3-yl)pyrazin-2-amine is sourced from PubChem (CID 82729405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).