3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine

C14H20N6 — CID 74247629

IUPAC3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ncc[nH]3)CC2)n1
InChIInChI=1S/C14H20N6/c1-11-9-17-12(2)14(18-11)20-7-5-19(6-8-20)10-13-15-3-4-16-13/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyMKOMFBHJRUNEDF-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.14
Rot. Bonds3

About 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine

3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine (PubChem CID 74247629) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine
PubChem CID74247629
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3ncc[nH]3)CC2)n1
InChIInChI=1S/C14H20N6/c1-11-9-17-12(2)14(18-11)20-7-5-19(6-8-20)10-13-15-3-4-16-13/h3-4,9H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyMKOMFBHJRUNEDF-UHFFFAOYSA-N
XLogP1.14
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethyl-4-methylimidazole
CID 70262
2,4-Dimethylimidazole
CID 70259
2-{[2-(1H-Imidazol-4-yl)ethyl]amino}pyrazine
CID 10330136
3-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 20299642
5-Methyl-8-(4-methyl-piperazin-1-yl)-imidazo[1,2-a]pyrazine
CID 10466448
6-Chloro-3-methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;dihydrochloride
CID 12841580
2-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45261774
6-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45261791
3,5-Dimethyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45261828
5-Methyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45265149
3-Ethyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45265174
3,6-Dimethyl-8-piperazin-1-ylimidazo[1,2-a]pyrazine;hydrochloride
CID 45265186

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine (CID 74247629) is 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCN(Cc3ncc[nH]3)CC2)n1.
What is the InChIKey of 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is MKOMFBHJRUNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-9-17-12(2)14(18-11)20-7-5-19(6-8-20)10-13-15-3-4-16-13/h3-4,9H,5-8,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine?
3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 272.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 74247629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).