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

C10H18N6 — CID 66208596

IUPAC4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1c1nnnn1C
InChIInChI=1S/C10H18N6/c1-3-9-8-5-11-4-7(8)6-16(9)10-12-13-14-15(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeyJDQNPJLRSQSFSU-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.36
Rot. Bonds2

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

4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66208596) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66208596
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1c1nnnn1C
InChIInChI=1S/C10H18N6/c1-3-9-8-5-11-4-7(8)6-16(9)10-12-13-14-15(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeyJDQNPJLRSQSFSU-UHFFFAOYSA-N
XLogP-0.36
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66208596) is 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1c1nnnn1C.
What is the InChIKey of 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is JDQNPJLRSQSFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-3-9-8-5-11-4-7(8)6-16(9)10-12-13-14-15(10)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 222.30 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66208596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).