4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H24N6 — CID 66243182

IUPAC4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCCn1nnnc1CN1CC2CNCC2C1(C)C
InChIInChI=1S/C13H24N6/c1-4-5-19-12(15-16-17-19)9-18-8-10-6-14-7-11(10)13(18,2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyFKCWCTJGMDAROA-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.51
Rot. Bonds4

About 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66243182) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66243182
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCCCn1nnnc1CN1CC2CNCC2C1(C)C
InChIInChI=1S/C13H24N6/c1-4-5-19-12(15-16-17-19)9-18-8-10-6-14-7-11(10)13(18,2)3/h10-11,14H,4-9H2,1-3H3
InChIKeyFKCWCTJGMDAROA-UHFFFAOYSA-N
XLogP0.51
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-decyl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243161
3-[(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078385
5-[(2-ethylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66209948
5-[(5-ethylfuran-2-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242300
1-[(1-propyltetrazol-5-yl)methyl]piperazine
CID 43090479
4,4-dimethyl-5-[(1-methylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 82870404
1-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylpiperazine
CID 63909068
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66243788
4,4-dimethyl-5-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244229
5-(2-ethylbutyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208395
4,4-dimethyl-5-(2-pyrrolidin-1-ylethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244210
4,4-dimethyl-5-[(4-propan-2-yloxyphenyl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66241671

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66243182) is 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CCCn1nnnc1CN1CC2CNCC2C1(C)C.
What is the InChIKey of 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is FKCWCTJGMDAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-5-19-12(15-16-17-19)9-18-8-10-6-14-7-11(10)13(18,2)3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 264.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(1-propyltetrazol-5-yl)methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66243182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).