3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

C16H18N4O3 — CID 45494867

IUPAC3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(N2Cc3nc(=O)n(C4CCCC4)n3C2=O)c1
InChIInChI=1S/C16H18N4O3/c1-23-13-8-4-7-12(9-13)18-10-14-17-15(21)19(20(14)16(18)22)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyBXJPHAVECSEJBX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.16
Rot. Bonds3

About 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione

3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (PubChem CID 45494867) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.

Molecular Properties

Compound Name3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
PubChem CID45494867
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
SMILESCOc1cccc(N2Cc3nc(=O)n(C4CCCC4)n3C2=O)c1
InChIInChI=1S/C16H18N4O3/c1-23-13-8-4-7-12(9-13)18-10-14-17-15(21)19(20(14)16(18)22)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3
InChIKeyBXJPHAVECSEJBX-UHFFFAOYSA-N
XLogP2.16
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxyphenyl)-3-(2-oxopropyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 45496212
6-(3-methoxyphenyl)-3-(3-methylbutyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 52897925
4-[[6-(3-methoxyphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]methyl]benzonitrile
CID 52900785
6-(4-methoxyphenyl)-3-methyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 16767058
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
6-(4-methoxyphenyl)-3-prop-2-ynyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39337508
2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetonitrile
CID 39347906
methyl 2-[6-(3-methylphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 39337051
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
2-(3-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61369779
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The IUPAC name of 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione (CID 45494867) is 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione.
What is the SMILES notation for 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The canonical SMILES for 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is COc1cccc(N2Cc3nc(=O)n(C4CCCC4)n3C2=O)c1.
What is the InChIKey of 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
The InChIKey is BXJPHAVECSEJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-23-13-8-4-7-12(9-13)18-10-14-17-15(21)19(20(14)16(18)22)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6,10H2,1H3.
What are the key properties of 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione?
3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione has a molecular weight of 314.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-(3-methoxyphenyl)-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione is sourced from PubChem (CID 45494867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).