trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C19H27N5O — CID 129485464

IUPACtrans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C19H27N5O/c1-19(25)12-6-5-10-16(19)17-11-7-13-23(17)14-18-20-21-22-24(18)15-8-3-2-4-9-15/h2-4,8-9,16-17,25H,5-7,10-14H2,1H3/t16-,17+,19+/m1/s1
InChIKeyZPOXHBZSOVOGFR-AOIWGVFYSA-N
MW341.46 g/mol
LogP2.57
Rot. Bonds4

About trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol

trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 129485464) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID129485464
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Nametrans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1
InChIInChI=1S/C19H27N5O/c1-19(25)12-6-5-10-16(19)17-11-7-13-23(17)14-18-20-21-22-24(18)15-8-3-2-4-9-15/h2-4,8-9,16-17,25H,5-7,10-14H2,1H3/t16-,17+,19+/m1/s1
InChIKeyZPOXHBZSOVOGFR-AOIWGVFYSA-N
XLogP2.57
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95343995
[3-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926252
(4aS,8aS)-4-[(1-phenyltetrazol-5-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94032320
5-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95293291
2,2-dimethyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 79870597
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95349117
N-methyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 119920301
3,3-dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperidin-4-amine
CID 120775351
(4aS,7aR)-1-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 154841833
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
(2S,3aR,7aS)-1-[(1-phenyltetrazol-5-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125144052
5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 51091387

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 129485464) is trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is ZPOXHBZSOVOGFR-AOIWGVFYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-19(25)12-6-5-10-16(19)17-11-7-13-23(17)14-18-20-21-22-24(18)15-8-3-2-4-9-15/h2-4,8-9,16-17,25H,5-7,10-14H2,1H3/t16-,17+,19+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 341.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-[(2S)-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 129485464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).