4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H19N5 — CID 107045290

IUPAC4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1Cc1cn(C)nn1
InChIInChI=1S/C11H19N5/c1-8-11-4-12-3-9(11)5-16(8)7-10-6-15(2)14-13-10/h6,8-9,11-12H,3-5,7H2,1-2H3
InChIKeyKBSSWKWDFRIQCK-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.15
Rot. Bonds2

About 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 107045290) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID107045290
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1Cc1cn(C)nn1
InChIInChI=1S/C11H19N5/c1-8-11-4-12-3-9(11)5-16(8)7-10-6-15(2)14-13-10/h6,8-9,11-12H,3-5,7H2,1-2H3
InChIKeyKBSSWKWDFRIQCK-UHFFFAOYSA-N
XLogP-0.15
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
CID 66211269
(2R)-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 104869459
5-(1H-imidazol-5-ylmethyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209779
5-[(3,5-difluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 105404951
5-[(4-bromophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213416
5-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209789
4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114556388
4-methyl-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazole
CID 66213409
4-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-ol
CID 66209592
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209408
2-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055406
5-ethyl-2-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 107055600

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 107045290) is 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1Cc1cn(C)nn1.
What is the InChIKey of 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is KBSSWKWDFRIQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-11-4-12-3-9(11)5-16(8)7-10-6-15(2)14-13-10/h6,8-9,11-12H,3-5,7H2,1-2H3.
What are the key properties of 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 221.31 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methyltriazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 107045290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).