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

C13H22N6 — CID 66207964

IUPAC5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1Cc1nnnn1C1CC1
InChIInChI=1S/C13H22N6/c1-2-12-11-6-14-5-9(11)7-18(12)8-13-15-16-17-19(13)10-3-4-10/h9-12,14H,2-8H2,1H3
InChIKeyIEAZAEXDUIFUGT-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.44
Rot. Bonds4

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

5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66207964) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66207964
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1Cc1nnnn1C1CC1
InChIInChI=1S/C13H22N6/c1-2-12-11-6-14-5-9(11)7-18(12)8-13-15-16-17-19(13)10-3-4-10/h9-12,14H,2-8H2,1H3
InChIKeyIEAZAEXDUIFUGT-UHFFFAOYSA-N
XLogP0.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66207964) is 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1Cc1nnnn1C1CC1.
What is the InChIKey of 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is IEAZAEXDUIFUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-2-12-11-6-14-5-9(11)7-18(12)8-13-15-16-17-19(13)10-3-4-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 262.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopropyltetrazol-5-yl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66207964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).