2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C18H20N6O — CID 97390304

IUPAC2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCn3cc(Cn4cncn4)nc3C2)cc1
InChIInChI=1S/C18H20N6O/c1-14-2-4-15(5-3-14)8-18(25)23-7-6-22-9-16(21-17(22)11-23)10-24-13-19-12-20-24/h2-5,9,12-13H,6-8,10-11H2,1H3
InChIKeyOALWBIAHVGYQNA-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.42
Rot. Bonds4

About 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 97390304) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID97390304
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCn3cc(Cn4cncn4)nc3C2)cc1
InChIInChI=1S/C18H20N6O/c1-14-2-4-15(5-3-14)8-18(25)23-7-6-22-9-16(21-17(22)11-23)10-24-13-19-12-20-24/h2-5,9,12-13H,6-8,10-11H2,1H3
InChIKeyOALWBIAHVGYQNA-UHFFFAOYSA-N
XLogP1.42
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
CID 97390308
7-[(5-methylthiophen-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155848406
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
8-(3-methylsulfonylpropanoyl)-2-(1,2,4-triazol-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 131697080
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
CID 97467329
1-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
CID 97390280
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
1-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone;2,2,2-trifluoroacetic acid
CID 155852281
8-[2-(1-hydroxycyclobutyl)acetyl]-2-(1,2,4-triazol-1-ylmethyl)-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidin-4-one
CID 155870088
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898
2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylic acid
CID 67378273
2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 134792511

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 97390304) is 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is Cc1ccc(CC(=O)N2CCn3cc(Cn4cncn4)nc3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is OALWBIAHVGYQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-14-2-4-15(5-3-14)8-18(25)23-7-6-22-9-16(21-17(22)11-23)10-24-13-19-12-20-24/h2-5,9,12-13H,6-8,10-11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 336.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 97390304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).