5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine

C14H15ClN4OS — CID 124627488

IUPAC5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine
SMILESO=[S@](Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN4OS/c15-10-3-6-13(16-7-10)21(20)8-12-17-18-14(9-1-2-9)19(12)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2/t21-/m1/s1
InChIKeyRWIJOTTZSXRFIG-OAQYLSRUSA-N
MW322.82 g/mol
LogP2.85
Rot. Bonds5

About 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine

5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine (PubChem CID 124627488) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine
PubChem CID124627488
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine
SMILESO=[S@](Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1
InChIInChI=1S/C14H15ClN4OS/c15-10-3-6-13(16-7-10)21(20)8-12-17-18-14(9-1-2-9)19(12)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2/t21-/m1/s1
InChIKeyRWIJOTTZSXRFIG-OAQYLSRUSA-N
XLogP2.85
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine?
The IUPAC name of 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine (CID 124627488) is 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine?
The canonical SMILES for 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine is O=[S@](Cc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine?
The InChIKey is RWIJOTTZSXRFIG-OAQYLSRUSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-10-3-6-13(16-7-10)21(20)8-12-17-18-14(9-1-2-9)19(12)11-4-5-11/h3,6-7,9,11H,1-2,4-5,8H2/t21-/m1/s1.
What are the key properties of 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine?
5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine has a molecular weight of 322.82 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(R)-(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methylsulfinyl]pyridine is sourced from PubChem (CID 124627488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).