N-(4-chlorophenyl)pyrazin-2-amine

C10H8ClN3 — CID 86113819

IUPACN-(4-chlorophenyl)pyrazin-2-amine
SMILESClc1ccc(Nc2cnccn2)cc1
InChIInChI=1S/C10H8ClN3/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-7H,(H,13,14)
InChIKeyFECMFVFDNGZXAO-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.87
Rot. Bonds2

About N-(4-chlorophenyl)pyrazin-2-amine

N-(4-chlorophenyl)pyrazin-2-amine (PubChem CID 86113819) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is N-(4-chlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)pyrazin-2-amine
PubChem CID86113819
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC NameN-(4-chlorophenyl)pyrazin-2-amine
SMILESClc1ccc(Nc2cnccn2)cc1
InChIInChI=1S/C10H8ClN3/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-7H,(H,13,14)
InChIKeyFECMFVFDNGZXAO-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)pyrazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)pyrazin-2-amine (CID 86113819) is N-(4-chlorophenyl)pyrazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)pyrazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)pyrazin-2-amine is Clc1ccc(Nc2cnccn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)pyrazin-2-amine?
The InChIKey is FECMFVFDNGZXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-8-1-3-9(4-2-8)14-10-7-12-5-6-13-10/h1-7H,(H,13,14).
What are the key properties of N-(4-chlorophenyl)pyrazin-2-amine?
N-(4-chlorophenyl)pyrazin-2-amine has a molecular weight of 205.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 86113819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).