1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol

C20H22N4O — CID 154800249

IUPAC1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(Cn2ccnn2)CCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N4O/c25-20(16-24-14-12-21-22-24)11-13-23(15-20)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14,19,25H,11,13,15-16H2
InChIKeyDYRCRFUUVKSIIN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.50
Rot. Bonds5

About 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol

1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 154800249) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
PubChem CID154800249
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(Cn2ccnn2)CCN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H22N4O/c25-20(16-24-14-12-21-22-24)11-13-23(15-20)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14,19,25H,11,13,15-16H2
InChIKeyDYRCRFUUVKSIIN-UHFFFAOYSA-N
XLogP2.50
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 128979303
1-benzhydryl-3-(sulfanylmethyl)azetidin-3-ol
CID 89059165
1-[4-hydroxy-4-(triazol-1-ylmethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166326358
3-(anilinomethyl)-1-benzhydrylazetidin-3-ol
CID 68555934
5-chloro-2-[3-hydroxy-3-(triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 154736395
1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 154756604
1-[3-(4-chlorophenyl)prop-2-ynyl]-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 146123970
2-[cyclopropyl(ethyl)amino]-1-[3-hydroxy-3-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 154745412
1-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-(triazol-1-ylmethyl)piperidin-3-ol
CID 167850598
N-[(1-benzhydryl-3-hydroxyazetidin-3-yl)methyl]-methylboronamidic acid
CID 20668520
1-benzyltriazole
CID 141250243
1-benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol (CID 154800249) is 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol is OC1(Cn2ccnn2)CCN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is DYRCRFUUVKSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(16-24-14-12-21-22-24)11-13-23(15-20)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12,14,19,25H,11,13,15-16H2.
What are the key properties of 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 334.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(triazol-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 154800249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).