1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one

C20H23N7O2 — CID 166375087

IUPAC1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(-c3nc(-c4ncn[nH]4)nn3CC3CCCO3)ccc21
InChIInChI=1S/C20H23N7O2/c1-20(2)14-9-12(6-7-15(14)26(3)19(20)28)18-23-17(16-21-11-22-24-16)25-27(18)10-13-5-4-8-29-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,21,22,24)
InChIKeyUFQVVHXBQFALKL-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.16
Rot. Bonds4

About 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one

1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one (PubChem CID 166375087) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one
PubChem CID166375087
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(-c3nc(-c4ncn[nH]4)nn3CC3CCCO3)ccc21
InChIInChI=1S/C20H23N7O2/c1-20(2)14-9-12(6-7-15(14)26(3)19(20)28)18-23-17(16-21-11-22-24-16)25-27(18)10-13-5-4-8-29-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,21,22,24)
InChIKeyUFQVVHXBQFALKL-UHFFFAOYSA-N
XLogP2.16
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

8-[[(2S)-oxolan-2-yl]methyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46214722
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
CID 151677843
6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
3-(4-methylphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 125461712
5,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95095149
3-[2-(2,2-dimethyloxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 167931859
3-(1,3-benzodioxol-5-yl)-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 27492712
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazole-5-thione
CID 51391247
(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277951
5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one
CID 82172376

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one (CID 166375087) is 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one is CN1C(=O)C(C)(C)c2cc(-c3nc(-c4ncn[nH]4)nn3CC3CCCO3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one?
The InChIKey is UFQVVHXBQFALKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-20(2)14-9-12(6-7-15(14)26(3)19(20)28)18-23-17(16-21-11-22-24-16)25-27(18)10-13-5-4-8-29-13/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,21,22,24).
What are the key properties of 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one?
1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one has a molecular weight of 393.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one is sourced from PubChem (CID 166375087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).