[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol

C13H23N5O — CID 172884093

IUPAC[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)CC[C@@H]1c1nnnn1C1CCCCC1
InChIInChI=1S/C13H23N5O/c1-17-11(9-19)7-8-12(17)13-14-15-16-18(13)10-5-3-2-4-6-10/h10-12,19H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyPDBXECKZLUALHP-NWDGAFQWSA-N
MW265.36 g/mol
LogP1.31
Rot. Bonds3

About [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol

[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol (PubChem CID 172884093) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
PubChem CID172884093
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol
SMILESCN1[C@H](CO)CC[C@@H]1c1nnnn1C1CCCCC1
InChIInChI=1S/C13H23N5O/c1-17-11(9-19)7-8-12(17)13-14-15-16-18(13)10-5-3-2-4-6-10/h10-12,19H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyPDBXECKZLUALHP-NWDGAFQWSA-N
XLogP1.31
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5S)-5-(1-cyclohexyltetrazol-5-yl)-1-cyclopentylpyrrolidin-2-yl]methanol
CID 172883875
cyclopentyl-[(2R,5S)-2-(1-cyclopropyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 172884163
[(2S,5S)-1-benzyl-5-(1-cyclopropyltetrazol-5-yl)pyrrolidin-2-yl]methanol
CID 172884016
1-(1-cyclohexyltetrazol-5-yl)butan-1-ol
CID 121220708
[(2R,5S)-2-(1-tert-butyltetrazol-5-yl)-5-(hydroxymethyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 172884146
5-(1-chlorobutyl)-1-cyclohexyltetrazole
CID 89395853
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
4-(1-cyclopropyltetrazol-5-yl)-1-methylpiperidine
CID 118303256
2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol
CID 124864640
[(2S,5S)-5-[1-(4-methoxyphenyl)tetrazol-5-yl]-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 172883867
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-methylpiperazine
CID 3208531
[(2S,5S)-5-(1-butyltetrazol-5-yl)-1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 172883901

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol (CID 172884093) is [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol is CN1[C@H](CO)CC[C@@H]1c1nnnn1C1CCCCC1.
What is the InChIKey of [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is PDBXECKZLUALHP-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-11(9-19)7-8-12(17)13-14-15-16-18(13)10-5-3-2-4-6-10/h10-12,19H,2-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol?
[(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 265.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(1-cyclohexyltetrazol-5-yl)-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 172884093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).