6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine

C9H8ClN3S — CID 47370342

IUPAC6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine
SMILESClc1cncc(NCc2cccs2)n1
InChIInChI=1S/C9H8ClN3S/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13)
InChIKeyLPEDXPNUIUJMCT-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.80
Rot. Bonds3

About 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine

6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine (PubChem CID 47370342) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine
PubChem CID47370342
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine
SMILESClc1cncc(NCc2cccs2)n1
InChIInChI=1S/C9H8ClN3S/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13)
InChIKeyLPEDXPNUIUJMCT-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine (CID 47370342) is 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine is Clc1cncc(NCc2cccs2)n1.
What is the InChIKey of 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
The InChIKey is LPEDXPNUIUJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13).
What are the key properties of 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine has a molecular weight of 225.70 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(thiophen-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 47370342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).