1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole

C12H16N4 — CID 18366500

IUPAC1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole
SMILESC=Cn1ccc(C)n1.C=Cn1ccnc1C
InChIInChI=1S/2C6H8N2/c1-3-8-5-4-7-6(8)2;1-3-8-5-4-6(2)7-8/h2*3-5H,1H2,2H3
InChIKeyRMDXELYJCQPADH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.58
Rot. Bonds2

About 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole

1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole (PubChem CID 18366500) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole.

Molecular Properties

Compound Name1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole
PubChem CID18366500
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole
SMILESC=Cn1ccc(C)n1.C=Cn1ccnc1C
InChIInChI=1S/2C6H8N2/c1-3-8-5-4-7-6(8)2;1-3-8-5-4-6(2)7-8/h2*3-5H,1H2,2H3
InChIKeyRMDXELYJCQPADH-UHFFFAOYSA-N
XLogP2.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 71685845
N~4~,6-dimethyl-N~4~-[3-(1H-pyrazol-1-yl)propyl]-2,4-pyrimidinediamine
CID 39782655
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(1-methyl-1H-1,2,4-triazol-5-yl)pyrimidin-2-amine
CID 45190722
6-N-[(2-ethylpyrazol-3-yl)methyl]-6-N,8,9-trimethylpurine-2,6-diamine
CID 52422232
6-N-[(2-ethylpyrazol-3-yl)methyl]-8,9-dimethylpurine-2,6-diamine
CID 52422233
6-N,8,9-trimethyl-6-N-[(2-methylpyrazol-3-yl)methyl]purine-2,6-diamine
CID 52422234
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
N,N,6-trimethyl-2-(3-pyrazol-1-ylazetidin-1-yl)pyrimidin-4-amine
CID 53613729
1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
N,5-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70778317

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole?
The IUPAC name of 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole (CID 18366500) is 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole.
What is the SMILES notation for 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole?
The canonical SMILES for 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole is C=Cn1ccc(C)n1.C=Cn1ccnc1C.
What is the InChIKey of 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole?
The InChIKey is RMDXELYJCQPADH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2/c1-3-8-5-4-7-6(8)2;1-3-8-5-4-6(2)7-8/h2*3-5H,1H2,2H3.
What are the key properties of 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole?
1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole has a molecular weight of 216.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methylimidazole;1-ethenyl-3-methylpyrazole is sourced from PubChem (CID 18366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).