3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride

C17H21ClN6 — CID 67250176

IUPAC3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
SMILESCl.c1cc2c3c(c1)c(-c1nnnn1C1CCNCC1)cn3CCC2
InChIInChI=1S/C17H20N6.ClH/c1-3-12-4-2-10-22-11-15(14(5-1)16(12)22)17-19-20-21-23(17)13-6-8-18-9-7-13;/h1,3,5,11,13,18H,2,4,6-10H2;1H
InChIKeyFTZRUHMQBOFGFA-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.59
Rot. Bonds2

About 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride

3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride (PubChem CID 67250176) has the molecular formula C17H21ClN6 and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride.

Molecular Properties

Compound Name3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
PubChem CID67250176
Molecular FormulaC17H21ClN6
Molecular Weight344.85 g/mol
Exact Mass344.15
IUPAC Name3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride
SMILESCl.c1cc2c3c(c1)c(-c1nnnn1C1CCNCC1)cn3CCC2
InChIInChI=1S/C17H20N6.ClH/c1-3-12-4-2-10-22-11-15(14(5-1)16(12)22)17-19-20-21-23(17)13-6-8-18-9-7-13;/h1,3,5,11,13,18H,2,4,6-10H2;1H
InChIKeyFTZRUHMQBOFGFA-UHFFFAOYSA-N
XLogP2.59
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
The IUPAC name of 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride (CID 67250176) is 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride.
What is the SMILES notation for 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
The canonical SMILES for 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride is Cl.c1cc2c3c(c1)c(-c1nnnn1C1CCNCC1)cn3CCC2.
What is the InChIKey of 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
The InChIKey is FTZRUHMQBOFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6.ClH/c1-3-12-4-2-10-22-11-15(14(5-1)16(12)22)17-19-20-21-23(17)13-6-8-18-9-7-13;/h1,3,5,11,13,18H,2,4,6-10H2;1H.
What are the key properties of 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride?
3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-4-yltetrazol-5-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;hydrochloride is sourced from PubChem (CID 67250176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).