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

C10H14N6O — CID 118614256

IUPAC3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2cn(C)nn2)nc2c1CN(O)C2
InChIInChI=1S/C10H14N6O/c1-3-16-9-6-15(17)5-7(9)11-10(16)8-4-14(2)13-12-8/h4,17H,3,5-6H2,1-2H3
InChIKeyQWQCSKRBAMQJLZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.40
Rot. Bonds2

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

3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118614256) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118614256
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCn1c(-c2cn(C)nn2)nc2c1CN(O)C2
InChIInChI=1S/C10H14N6O/c1-3-16-9-6-15(17)5-7(9)11-10(16)8-4-14(2)13-12-8/h4,17H,3,5-6H2,1-2H3
InChIKeyQWQCSKRBAMQJLZ-UHFFFAOYSA-N
XLogP0.40
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118614256) is 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is CCn1c(-c2cn(C)nn2)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is QWQCSKRBAMQJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-3-16-9-6-15(17)5-7(9)11-10(16)8-4-14(2)13-12-8/h4,17H,3,5-6H2,1-2H3.
What are the key properties of 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole?
3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 234.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-2-(1-methyltriazol-4-yl)-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118614256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).