7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C10H16ClN3 — CID 63026954

IUPAC7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESClCCCCN1CCn2ccnc2C1
InChIInChI=1S/C10H16ClN3/c11-3-1-2-5-13-7-8-14-6-4-12-10(14)9-13/h4,6H,1-3,5,7-9H2
InChIKeyXBYHYERWKMAFJT-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.72
Rot. Bonds4

About 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 63026954) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID63026954
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESClCCCCN1CCn2ccnc2C1
InChIInChI=1S/C10H16ClN3/c11-3-1-2-5-13-7-8-14-6-4-12-10(14)9-13/h4,6H,1-3,5,7-9H2
InChIKeyXBYHYERWKMAFJT-UHFFFAOYSA-N
XLogP1.72
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine
CID 63026878
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 63013047
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]imidazolidine-2,4-dione
CID 86774840
1-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpentan-2-ol
CID 64818722
7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131248036
7-[3-(benzenesulfonyl)propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 86774820
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-phenylpropan-1-one
CID 55143073
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylhexanenitrile
CID 63026298
2-(cyclopropylamino)-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylhexan-1-ol
CID 64789888
2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-ethylpentanenitrile
CID 106803570
2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid
CID 63026475

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 63026954) is 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is ClCCCCN1CCn2ccnc2C1.
What is the InChIKey of 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is XBYHYERWKMAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c11-3-1-2-5-13-7-8-14-6-4-12-10(14)9-13/h4,6H,1-3,5,7-9H2.
What are the key properties of 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 213.71 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 63026954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).