3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

C15H22N8O — CID 97074217

IUPAC3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2C[C@H]3CN(Cc4nnnn4C4CC4)C[C@@H]3C2)no1
InChIInChI=1S/C15H22N8O/c1-10-16-14(18-24-10)8-21-4-11-6-22(7-12(11)5-21)9-15-17-19-20-23(15)13-2-3-13/h11-13H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyRAHHQKLNJUQHFQ-RYUDHWBXSA-N
MW330.40 g/mol
LogP0.26
Rot. Bonds5

About 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 97074217) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID97074217
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2C[C@H]3CN(Cc4nnnn4C4CC4)C[C@@H]3C2)no1
InChIInChI=1S/C15H22N8O/c1-10-16-14(18-24-10)8-21-4-11-6-22(7-12(11)5-21)9-15-17-19-20-23(15)13-2-3-13/h11-13H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyRAHHQKLNJUQHFQ-RYUDHWBXSA-N
XLogP0.26
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 87023145
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
5-methyl-3-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 165431699
1,4-bis[(1-cyclopropyltetrazol-5-yl)methyl]-2-methylpiperazine
CID 60565467
2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 37268796
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
(2S)-4-[(1-cyclopropyltetrazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137834
3-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 126932705
(1R,5S)-6-(cyclopropylmethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118473
1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774569
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062544
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(1-propyltetrazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928326

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 97074217) is 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2C[C@H]3CN(Cc4nnnn4C4CC4)C[C@@H]3C2)no1.
What is the InChIKey of 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is RAHHQKLNJUQHFQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N8O/c1-10-16-14(18-24-10)8-21-4-11-6-22(7-12(11)5-21)9-15-17-19-20-23(15)13-2-3-13/h11-13H,2-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 330.40 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aR,6aR)-5-[(1-cyclopropyltetrazol-5-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 97074217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).