2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole

C12H18N6 — CID 145102904

IUPAC2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole
SMILESCc1ccn[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1
InChIInChI=1S/3C4H6N2/c1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4/h3*2-3H,1H3,(H,5,6)
InChIKeyBRXRHBJXOBUCQA-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.15
Rot. Bonds

About 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole

2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole (PubChem CID 145102904) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole.

Molecular Properties

Compound Name2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole
PubChem CID145102904
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole
SMILESCc1ccn[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1
InChIInChI=1S/3C4H6N2/c1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4/h3*2-3H,1H3,(H,5,6)
InChIKeyBRXRHBJXOBUCQA-UHFFFAOYSA-N
XLogP2.15
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 165415127
4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
N-[(2-ethylpyrazol-3-yl)methyl]-N,8-dimethyl-7H-purin-6-amine
CID 52104070
N-[(2-ethylpyrazol-3-yl)methyl]-8-methyl-7H-purin-6-amine
CID 71689207
N,N-dimethyl-1-[2-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117145
2-(1H-pyrazol-5-yl)-1H-imidazole-5-carbonitrile
CID 136144099
Imidazolylpyrazole
CID 136029224
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72898518
2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
CID 95203700
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131943882
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 164637404
5-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-amine
CID 136422690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole?
The IUPAC name of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole (CID 145102904) is 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole.
What is the SMILES notation for 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole?
The canonical SMILES for 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole is Cc1ccn[nH]1.Cc1cnc[nH]1.Cc1ncc[nH]1.
What is the InChIKey of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole?
The InChIKey is BRXRHBJXOBUCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6N2/c1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4/h3*2-3H,1H3,(H,5,6).
What are the key properties of 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole?
2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole has a molecular weight of 246.32 g/mol, XLogP of 2.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;5-methyl-1H-imidazole;5-methyl-1H-pyrazole is sourced from PubChem (CID 145102904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).