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

C9H15N5 — CID 67986553

IUPAC2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CC(n3cnnn3)CC2C1
InChIInChI=1S/C9H15N5/c1-13-4-7-2-9(3-8(7)5-13)14-6-10-11-12-14/h6-9H,2-5H2,1H3
InChIKeyDPQSYHCAAPRVOO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.19
Rot. Bonds1

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

2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 67986553) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID67986553
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CC2CC(n3cnnn3)CC2C1
InChIInChI=1S/C9H15N5/c1-13-4-7-2-9(3-8(7)5-13)14-6-10-11-12-14/h6-9H,2-5H2,1H3
InChIKeyDPQSYHCAAPRVOO-UHFFFAOYSA-N
XLogP0.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 67986553) is 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CN1CC2CC(n3cnnn3)CC2C1.
What is the InChIKey of 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is DPQSYHCAAPRVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-13-4-7-2-9(3-8(7)5-13)14-6-10-11-12-14/h6-9H,2-5H2,1H3.
What are the key properties of 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 193.25 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(tetrazol-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 67986553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).