5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

C9H12N6O — CID 118614148

IUPAC5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1cnnc1-c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C9H12N6O/c1-13-5-10-12-9(13)8-11-6-3-15(16)4-7(6)14(8)2/h5,16H,3-4H2,1-2H3
InChIKeyDVCHNGQQJBZQOK-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.08
Rot. Bonds1

About 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole

5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614148) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614148
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1cnnc1-c1nc2c(n1C)CN(O)C2
InChIInChI=1S/C9H12N6O/c1-13-5-10-12-9(13)8-11-6-3-15(16)4-7(6)14(8)2/h5,16H,3-4H2,1-2H3
InChIKeyDVCHNGQQJBZQOK-UHFFFAOYSA-N
XLogP-0.08
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614148) is 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1cnnc1-c1nc2c(n1C)CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is DVCHNGQQJBZQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-13-5-10-12-9(13)8-11-6-3-15(16)4-7(6)14(8)2/h5,16H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 220.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2-(4-methyl-1,2,4-triazol-3-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).