7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C9H12ClN3 — CID 131248036

IUPAC7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCl/C=C/CN1CCn2ccnc2C1
InChIInChI=1S/C9H12ClN3/c10-2-1-4-12-6-7-13-5-3-11-9(13)8-12/h1-3,5H,4,6-8H2/b2-1+
InChIKeyAJYPEQTWOUSOFA-OWOJBTEDSA-N
MW197.67 g/mol
LogP1.45
Rot. Bonds2

About 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 131248036) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID131248036
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCl/C=C/CN1CCn2ccnc2C1
InChIInChI=1S/C9H12ClN3/c10-2-1-4-12-6-7-13-5-3-11-9(13)8-12/h1-3,5H,4,6-8H2/b2-1+
InChIKeyAJYPEQTWOUSOFA-OWOJBTEDSA-N
XLogP1.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(E)-but-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131232949
7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63026954
7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 86774701
2-methylbutane;7-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160938610
5-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiadiazole
CID 86774655
[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
CID 164902446
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexan-1-ol
CID 62407301
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclopentan-1-ol
CID 63025148
1-(2-chlorophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 55151442
2-amino-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylbutanoic acid
CID 63026475
2-chloro-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)aniline
CID 55149396
7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 65015071

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 131248036) is 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Cl/C=C/CN1CCn2ccnc2C1.
What is the InChIKey of 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is AJYPEQTWOUSOFA-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H12ClN3/c10-2-1-4-12-6-7-13-5-3-11-9(13)8-12/h1-3,5H,4,6-8H2/b2-1+.
What are the key properties of 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 197.67 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-chloroprop-2-enyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 131248036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).