(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol

C11H13N5O — CID 129482161

IUPAC(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO[C@@]1(c2cn[nH]n2)CCN(c2ccccn2)C1
InChIInChI=1S/C11H13N5O/c17-11(9-7-13-15-14-9)4-6-16(8-11)10-3-1-2-5-12-10/h1-3,5,7,17H,4,6,8H2,(H,13,14,15)/t11-/m0/s1
InChIKeyABZGAXYMAIXGPC-NSHDSACASA-N
MW231.26 g/mol
LogP0.30
Rot. Bonds2

About (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol

(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol (PubChem CID 129482161) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
PubChem CID129482161
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO[C@@]1(c2cn[nH]n2)CCN(c2ccccn2)C1
InChIInChI=1S/C11H13N5O/c17-11(9-7-13-15-14-9)4-6-16(8-11)10-3-1-2-5-12-10/h1-3,5,7,17H,4,6,8H2,(H,13,14,15)/t11-/m0/s1
InChIKeyABZGAXYMAIXGPC-NSHDSACASA-N
XLogP0.30
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128977056
(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482636
3-(aminomethyl)-1-pyridin-2-ylpyrrolidin-3-ol
CID 175660643
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
3-[2-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 128980985
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
1-[(6-chloroquinolin-8-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol;hydroiodide
CID 167743063
1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756855
[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 129486685
[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylphenyl)cyclobutyl]methanone
CID 167986110
(6-chloroquinolin-8-yl)-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 154756968
1-(6-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128977109

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol (CID 129482161) is (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol is O[C@@]1(c2cn[nH]n2)CCN(c2ccccn2)C1.
What is the InChIKey of (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The InChIKey is ABZGAXYMAIXGPC-NSHDSACASA-N. The full InChI is InChI=1S/C11H13N5O/c17-11(9-7-13-15-14-9)4-6-16(8-11)10-3-1-2-5-12-10/h1-3,5,7,17H,4,6,8H2,(H,13,14,15)/t11-/m0/s1.
What are the key properties of (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol has a molecular weight of 231.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).