2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol

C16H24N6O2 — CID 70764502

IUPAC2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1CO
InChIInChI=1S/C16H24N6O2/c1-20(7-8-23)9-13-10-21(11-14(13)12-24)16-17-18-19-22(16)15-5-3-2-4-6-15/h2-6,13-14,23-24H,7-12H2,1H3/t13-,14-/m1/s1
InChIKeyXNJNRKZORGCYDD-ZIAGYGMSSA-N
MW332.41 g/mol
LogP-0.37
Rot. Bonds7

About 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol

2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol (PubChem CID 70764502) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
PubChem CID70764502
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol
SMILESCN(CCO)C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1CO
InChIInChI=1S/C16H24N6O2/c1-20(7-8-23)9-13-10-21(11-14(13)12-24)16-17-18-19-22(16)15-5-3-2-4-6-15/h2-6,13-14,23-24H,7-12H2,1H3/t13-,14-/m1/s1
InChIKeyXNJNRKZORGCYDD-ZIAGYGMSSA-N
XLogP-0.37
TPSA90.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol with MolForge

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Related Compounds

[(3S,4R)-1-(1-phenyltetrazol-5-yl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120929923
(3S,4R)-N,N-dimethyl-4-methylsulfanyl-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-amine
CID 125136385
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
(1R,5R)-3-(1-phenyltetrazol-5-yl)-6-propyl-3,6-diazabicyclo[3.2.2]nonane
CID 72904522
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
2-(bromomethyl)-4-(1-phenyltetrazol-5-yl)morpholine
CID 81211012
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol (CID 70764502) is 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol is CN(CCO)C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@@H]1CO.
What is the InChIKey of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
The InChIKey is XNJNRKZORGCYDD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20(7-8-23)9-13-10-21(11-14(13)12-24)16-17-18-19-22(16)15-5-3-2-4-6-15/h2-6,13-14,23-24H,7-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol?
2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol has a molecular weight of 332.41 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-(hydroxymethyl)-1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70764502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).