(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol

C6H10N4O — CID 104911664

IUPAC(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C6H10N4O/c11-4-1-5(7-2-4)6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)/t4-,5+/m1/s1
InChIKeyYWUFTFLNKNKHSF-UHNVWZDZSA-N
MW154.17 g/mol
LogP-0.80
Rot. Bonds1

About (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol

(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol (PubChem CID 104911664) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
PubChem CID104911664
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C6H10N4O/c11-4-1-5(7-2-4)6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)/t4-,5+/m1/s1
InChIKeyYWUFTFLNKNKHSF-UHNVWZDZSA-N
XLogP-0.80
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104912637
(5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911665
5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride
CID 122236371
2-(1H-1,2,4-triazol-5-yl)piperidine
CID 61361223
(5S)-5-(3-amino-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 104911614
(3R,5R)-5-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]pyrrolidin-3-ol
CID 130493845
(3R,5S)-5-[5-[4-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-3-ol
CID 59669031
(3R,5R)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 67330070
(3S,5S)-5-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
CID 104912639
(4R,5S,6S)-6-(2-hydroxyethyl)-4-methyl-7-oxo-3-[(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 67867066
ethyl 5-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylate
CID 104911703
3-(1H-1,2,4-triazol-5-yl)piperidine
CID 57004215

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol (CID 104911664) is (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol is O[C@H]1CN[C@H](c2ncn[nH]2)C1.
What is the InChIKey of (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The InChIKey is YWUFTFLNKNKHSF-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10N4O/c11-4-1-5(7-2-4)6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)/t4-,5+/m1/s1.
What are the key properties of (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
(3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol has a molecular weight of 154.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104911664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).