(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone

C20H27N5O — CID 167802192

IUPAC(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
SMILESCN1CC2(C)CN(C(=O)c3cn(CCc4ccccc4)nn3)CC2(C)C1
InChIInChI=1S/C20H27N5O/c1-19-12-23(3)13-20(19,2)15-24(14-19)18(26)17-11-25(22-21-17)10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12-15H2,1-3H3
InChIKeyDYXQZGDXJCTNFE-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.93
Rot. Bonds4

About (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone

(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone (PubChem CID 167802192) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
PubChem CID167802192
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone
SMILESCN1CC2(C)CN(C(=O)c3cn(CCc4ccccc4)nn3)CC2(C)C1
InChIInChI=1S/C20H27N5O/c1-19-12-23(3)13-20(19,2)15-24(14-19)18(26)17-11-25(22-21-17)10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12-15H2,1-3H3
InChIKeyDYXQZGDXJCTNFE-UHFFFAOYSA-N
XLogP1.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-[4-[1-(2-phenylethyl)triazole-4-carbonyl]piperazin-1-yl]methanone
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[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
[(3R)-1-[1-(2-phenylethyl)triazole-4-carbonyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42095787
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
[1-(3-phenylpropyl)triazol-4-yl]-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45237482
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[4-[(S)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone?
The IUPAC name of (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone (CID 167802192) is (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone.
What is the SMILES notation for (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone?
The canonical SMILES for (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone is CN1CC2(C)CN(C(=O)c3cn(CCc4ccccc4)nn3)CC2(C)C1.
What is the InChIKey of (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone?
The InChIKey is DYXQZGDXJCTNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-19-12-23(3)13-20(19,2)15-24(14-19)18(26)17-11-25(22-21-17)10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12-15H2,1-3H3.
What are the key properties of (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone?
(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone has a molecular weight of 353.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-[1-(2-phenylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 167802192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).