5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine

C9H10ClN5 — CID 130934961

IUPAC5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cnc(Cl)cn1)c1ncc[nH]1
InChIInChI=1S/C9H10ClN5/c1-6(9-11-2-3-12-9)15-8-5-13-7(10)4-14-8/h2-6H,1H3,(H,11,12)(H,14,15)
InChIKeyMERGDKUXGZQMRO-UHFFFAOYSA-N
MW223.67 g/mol
LogP2.03
Rot. Bonds3

About 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine

5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine (PubChem CID 130934961) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
PubChem CID130934961
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
SMILESCC(Nc1cnc(Cl)cn1)c1ncc[nH]1
InChIInChI=1S/C9H10ClN5/c1-6(9-11-2-3-12-9)15-8-5-13-7(10)4-14-8/h2-6H,1H3,(H,11,12)(H,14,15)
InChIKeyMERGDKUXGZQMRO-UHFFFAOYSA-N
XLogP2.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine (CID 130934961) is 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine is CC(Nc1cnc(Cl)cn1)c1ncc[nH]1.
What is the InChIKey of 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine?
The InChIKey is MERGDKUXGZQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c1-6(9-11-2-3-12-9)15-8-5-13-7(10)4-14-8/h2-6H,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine?
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine has a molecular weight of 223.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 130934961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).