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

C9H16N6 — CID 66209061

IUPAC4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1c1nnnn1C
InChIInChI=1S/C9H16N6/c1-6-8-4-10-3-7(8)5-15(6)9-11-12-13-14(9)2/h6-8,10H,3-5H2,1-2H3
InChIKeyHYGSIFBXAQNXRA-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.75
Rot. Bonds1

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

4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209061) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209061
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCC1C2CNCC2CN1c1nnnn1C
InChIInChI=1S/C9H16N6/c1-6-8-4-10-3-7(8)5-15(6)9-11-12-13-14(9)2/h6-8,10H,3-5H2,1-2H3
InChIKeyHYGSIFBXAQNXRA-UHFFFAOYSA-N
XLogP-0.75
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209061) is 4-methyl-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-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CC1C2CNCC2CN1c1nnnn1C.
What is the InChIKey of 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is HYGSIFBXAQNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-6-8-4-10-3-7(8)5-15(6)9-11-12-13-14(9)2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 208.27 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methyltetrazol-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).