6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine

C9H7Cl2N3S — CID 10377887

IUPAC6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine
SMILESClc1cncc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H7Cl2N3S/c10-7-4-12-5-9(14-7)13-3-6-1-2-8(11)15-6/h1-2,4-5H,3H2,(H,13,14)
InChIKeyLOBRDPBJYLUUSH-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.46
Rot. Bonds3

About 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine (PubChem CID 10377887) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine
PubChem CID10377887
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine
SMILESClc1cncc(NCc2ccc(Cl)s2)n1
InChIInChI=1S/C9H7Cl2N3S/c10-7-4-12-5-9(14-7)13-3-6-1-2-8(11)15-6/h1-2,4-5H,3H2,(H,13,14)
InChIKeyLOBRDPBJYLUUSH-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine (CID 10377887) is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine is Clc1cncc(NCc2ccc(Cl)s2)n1.
What is the InChIKey of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine?
The InChIKey is LOBRDPBJYLUUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-7-4-12-5-9(14-7)13-3-6-1-2-8(11)15-6/h1-2,4-5H,3H2,(H,13,14).
What are the key properties of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine?
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 10377887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).