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

C10H11ClN6O — CID 129482636

IUPAC(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO[C@@]1(c2cn[nH]n2)CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H11ClN6O/c11-7-3-12-9(13-4-7)17-2-1-10(18,6-17)8-5-14-16-15-8/h3-5,18H,1-2,6H2,(H,14,15,16)/t10-/m0/s1
InChIKeyKOWFOFTXJCCFHI-JTQLQIEISA-N
MW266.69 g/mol
LogP0.35
Rot. Bonds2

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

(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol (PubChem CID 129482636) has the molecular formula C10H11ClN6O and a molecular weight of 266.69 g/mol. Its IUPAC name is (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
PubChem CID129482636
Molecular FormulaC10H11ClN6O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESO[C@@]1(c2cn[nH]n2)CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H11ClN6O/c11-7-3-12-9(13-4-7)17-2-1-10(18,6-17)8-5-14-16-15-8/h3-5,18H,1-2,6H2,(H,14,15,16)/t10-/m0/s1
InChIKeyKOWFOFTXJCCFHI-JTQLQIEISA-N
XLogP0.35
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-pyridin-2-yl-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482161
1-(5-bromo-2-pyridinyl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128977056
4-chloro-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]benzonitrile
CID 128977782
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
3-chloro-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]benzonitrile
CID 167822858
1-[(6-chloroquinolin-8-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol;hydroiodide
CID 167743063
(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
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978697
5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
CID 82994053
3,3-dicyclopropyl-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 154756977

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol (CID 129482636) is (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol is O[C@@]1(c2cn[nH]n2)CCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The InChIKey is KOWFOFTXJCCFHI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11ClN6O/c11-7-3-12-9(13-4-7)17-2-1-10(18,6-17)8-5-14-16-15-8/h3-5,18H,1-2,6H2,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
(3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol has a molecular weight of 266.69 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chloropyrimidin-2-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).