N-(azetidin-3-yl)-3-chloropyrazin-2-amine

C7H9ClN4 — CID 121204705

IUPACN-(azetidin-3-yl)-3-chloropyrazin-2-amine
SMILESClc1nccnc1NC1CNC1
InChIInChI=1S/C7H9ClN4/c8-6-7(11-2-1-10-6)12-5-3-9-4-5/h1-2,5,9H,3-4H2,(H,11,12)
InChIKeyDBWBVWRURTXVIH-UHFFFAOYSA-N
MW184.63 g/mol
LogP0.51
Rot. Bonds2

About N-(azetidin-3-yl)-3-chloropyrazin-2-amine

N-(azetidin-3-yl)-3-chloropyrazin-2-amine (PubChem CID 121204705) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-chloropyrazin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-chloropyrazin-2-amine
PubChem CID121204705
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC NameN-(azetidin-3-yl)-3-chloropyrazin-2-amine
SMILESClc1nccnc1NC1CNC1
InChIInChI=1S/C7H9ClN4/c8-6-7(11-2-1-10-6)12-5-3-9-4-5/h1-2,5,9H,3-4H2,(H,11,12)
InChIKeyDBWBVWRURTXVIH-UHFFFAOYSA-N
XLogP0.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-chloropyrazin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-3-chloropyrazin-2-amine (CID 121204705) is N-(azetidin-3-yl)-3-chloropyrazin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-3-chloropyrazin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-3-chloropyrazin-2-amine is Clc1nccnc1NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-chloropyrazin-2-amine?
The InChIKey is DBWBVWRURTXVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c8-6-7(11-2-1-10-6)12-5-3-9-4-5/h1-2,5,9H,3-4H2,(H,11,12).
What are the key properties of N-(azetidin-3-yl)-3-chloropyrazin-2-amine?
N-(azetidin-3-yl)-3-chloropyrazin-2-amine has a molecular weight of 184.63 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-chloropyrazin-2-amine is sourced from PubChem (CID 121204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).