5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole

C16H21N5 — CID 141283396

IUPAC5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole
SMILESc1cc(C2CCC(N3CCC3)CC2)ccc1-c1nn[nH]n1
InChIInChI=1S/C16H21N5/c1-10-21(11-1)15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-17-19-20-18-16/h2-5,13,15H,1,6-11H2,(H,17,18,19,20)
InChIKeyHNGGDAOFQODWHU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.60
Rot. Bonds3

About 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole

5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole (PubChem CID 141283396) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole
PubChem CID141283396
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole
SMILESc1cc(C2CCC(N3CCC3)CC2)ccc1-c1nn[nH]n1
InChIInChI=1S/C16H21N5/c1-10-21(11-1)15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-17-19-20-18-16/h2-5,13,15H,1,6-11H2,(H,17,18,19,20)
InChIKeyHNGGDAOFQODWHU-UHFFFAOYSA-N
XLogP2.60
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone
CID 166314237
3-[4-[1-[4-(2-aminoethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266462
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 23651394
4-[4-(2H-tetrazol-5-yl)phenyl]morpholine
CID 863212
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
3-[4-[1-(3-aminocyclobutyl)piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266049
3-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine
CID 130230693
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
[(1R,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 46179590
CID 175020702
CID 175020702

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole (CID 141283396) is 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole is c1cc(C2CCC(N3CCC3)CC2)ccc1-c1nn[nH]n1.
What is the InChIKey of 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole?
The InChIKey is HNGGDAOFQODWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-10-21(11-1)15-8-6-13(7-9-15)12-2-4-14(5-3-12)16-17-19-20-18-16/h2-5,13,15H,1,6-11H2,(H,17,18,19,20).
What are the key properties of 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole?
5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole has a molecular weight of 283.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 141283396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).