5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline

C12H13ClN4 — CID 63014980

IUPAC5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
SMILESNc1cc(Cl)ccc1N1CCn2ccnc2C1
InChIInChI=1S/C12H13ClN4/c13-9-1-2-11(10(14)7-9)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2
InChIKeyIGYSCRLMPBVDAL-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.14
Rot. Bonds1

About 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline

5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline (PubChem CID 63014980) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
PubChem CID63014980
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline
SMILESNc1cc(Cl)ccc1N1CCn2ccnc2C1
InChIInChI=1S/C12H13ClN4/c13-9-1-2-11(10(14)7-9)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2
InChIKeyIGYSCRLMPBVDAL-UHFFFAOYSA-N
XLogP2.14
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline?
The IUPAC name of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline (CID 63014980) is 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline.
What is the SMILES notation for 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline?
The canonical SMILES for 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline is Nc1cc(Cl)ccc1N1CCn2ccnc2C1.
What is the InChIKey of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline?
The InChIKey is IGYSCRLMPBVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c13-9-1-2-11(10(14)7-9)17-6-5-16-4-3-15-12(16)8-17/h1-4,7H,5-6,8,14H2.
What are the key properties of 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline?
5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline has a molecular weight of 248.72 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)aniline is sourced from PubChem (CID 63014980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).