2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C11H19N5 — CID 107054772

IUPAC2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCn1nnc(CC2CCC3CCCC3N2)n1
InChIInChI=1S/C11H19N5/c1-16-14-11(13-15-16)7-9-6-5-8-3-2-4-10(8)12-9/h8-10,12H,2-7H2,1H3
InChIKeySVWTZLROLPRDTR-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.67
Rot. Bonds2

About 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 107054772) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID107054772
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCn1nnc(CC2CCC3CCCC3N2)n1
InChIInChI=1S/C11H19N5/c1-16-14-11(13-15-16)7-9-6-5-8-3-2-4-10(8)12-9/h8-10,12H,2-7H2,1H3
InChIKeySVWTZLROLPRDTR-UHFFFAOYSA-N
XLogP0.67
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Related Compounds

4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one
CID 10241164
2-[(4-tert-butylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778586
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-2-ylmethanethiol
CID 89216652
2-[(2-methyltetrazol-5-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 107052579
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2,5-dimethylpyrazol-3-amine
CID 103569096
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778439
2-[(5-fluoro-2-methylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106781842
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
CID 107052361
3-cyclopropyl-1-[(2-methyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 107056138

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 107054772) is 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is Cn1nnc(CC2CCC3CCCC3N2)n1.
What is the InChIKey of 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is SVWTZLROLPRDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-14-11(13-15-16)7-9-6-5-8-3-2-4-10(8)12-9/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 221.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyltetrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 107054772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).