3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine

C16H22N6 — CID 644790

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine
SMILESc1cncc(C(c2nnnn2C2CCCC2)N2CCCC2)c1
InChIInChI=1S/C16H22N6/c1-2-8-14(7-1)22-16(18-19-20-22)15(21-10-3-4-11-21)13-6-5-9-17-12-13/h5-6,9,12,14-15H,1-4,7-8,10-11H2
InChIKeyFTOJRUCGDZBCQV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.37
Rot. Bonds4

About 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine

3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine (PubChem CID 644790) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine
PubChem CID644790
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine
SMILESc1cncc(C(c2nnnn2C2CCCC2)N2CCCC2)c1
InChIInChI=1S/C16H22N6/c1-2-8-14(7-1)22-16(18-19-20-22)15(21-10-3-4-11-21)13-6-5-9-17-12-13/h5-6,9,12,14-15H,1-4,7-8,10-11H2
InChIKeyFTOJRUCGDZBCQV-UHFFFAOYSA-N
XLogP2.37
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-3-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3229211
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-butyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 1817894
1-[(1-Benzyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 652753
12-Cyclopentyl-10-ethyl-5-pyridin-2-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 9945610
12-Cyclopentyl-10-ethyl-5-pyridin-4-yl-3,4,6,11,12-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,10-tetraene
CID 10268586
9-cyclopentyl-5,6-dihydro-7-ethyl-3-(3-pyridyl)-9H-pyrazolo[3,4-c]-1,2,4-triazolo[4,3-alpha]pyridine
CID 15434926
1-((4-(1H-pyrrol-1-yl)phenyl)(1-benzyl-1H-tetrazol-5-yl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159045
3-(1-Phenyltetrazol-5-yl)pyridine
CID 3230982
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-cyclohexyl-piperazine
CID 644767
1-[(1-Phenethyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-4-phenyl-piperazine
CID 644979
Benzyl-[(1-tert-butyl-1H-tetrazol-5-yl)-pyridin-4-yl-methyl]-ethyl-amine
CID 648463

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine (CID 644790) is 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine is c1cncc(C(c2nnnn2C2CCCC2)N2CCCC2)c1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine?
The InChIKey is FTOJRUCGDZBCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-2-8-14(7-1)22-16(18-19-20-22)15(21-10-3-4-11-21)13-6-5-9-17-12-13/h5-6,9,12,14-15H,1-4,7-8,10-11H2.
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine?
3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine has a molecular weight of 298.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]pyridine is sourced from PubChem (CID 644790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).