5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole

C10H12N6 — CID 135888559

IUPAC5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole
SMILESCc1ncc(-c2nc3c(cnn3C)[nH]2)n1C
InChIInChI=1S/C10H12N6/c1-6-11-5-8(15(6)2)9-13-7-4-12-16(3)10(7)14-9/h4-5H,1-3H3,(H,13,14)
InChIKeyYEPLUODWSVAUFO-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.01
Rot. Bonds1

About 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole

5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole (PubChem CID 135888559) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole
PubChem CID135888559
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole
SMILESCc1ncc(-c2nc3c(cnn3C)[nH]2)n1C
InChIInChI=1S/C10H12N6/c1-6-11-5-8(15(6)2)9-13-7-4-12-16(3)10(7)14-9/h4-5H,1-3H3,(H,13,14)
InChIKeyYEPLUODWSVAUFO-UHFFFAOYSA-N
XLogP1.01
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-N-(1-methylpyrazol-4-yl)-7H-purin-6-amine
CID 52104086
8-methyl-N-(1-methylpyrazol-3-yl)-7H-purin-6-amine
CID 52233347
1-ethyl-5-(5-methyl-1-propyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966217
1-ethyl-5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966314
2-N-(1-methylpyrazol-4-yl)-6-N-(2-pyrrolidin-1-ylethyl)-7H-purine-2,6-diamine
CID 162649816
Dihydroimidazopyrazole
CID 135621748
2-butyl-5-[1-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-2-yl]-1H-imidazole
CID 95203700
1-isopropyl-5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135860479
5-(1-isopropyl-1H-pyrazol-4-yl)-3-methyl-1-propyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135876452
1-isopropyl-3-methyl-5-(1-methyl-1H-imidazol-5-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135888202
5-(1,2-dimethyl-1H-imidazol-5-yl)-3-methyl-1-(3-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135914450
5-(2,2-Dimethylpropyl)-1-isobutyl-1,4-dihydroimidazo[4,5-c]pyrazole
CID 135966200

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole (CID 135888559) is 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole is Cc1ncc(-c2nc3c(cnn3C)[nH]2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
The InChIKey is YEPLUODWSVAUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-6-11-5-8(15(6)2)9-13-7-4-12-16(3)10(7)14-9/h4-5H,1-3H3,(H,13,14).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole?
5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole has a molecular weight of 216.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-1-methyl-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135888559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).