3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine

C14H19N5 — CID 129461551

IUPAC3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine
SMILESC[C@H](c1cccnc1)N1CCC[C@H]1Cn1cncn1
InChIInChI=1S/C14H19N5/c1-12(13-4-2-6-15-8-13)19-7-3-5-14(19)9-18-11-16-10-17-18/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t12-,14+/m1/s1
InChIKeyLZTUOJFDLLVRJU-OCCSQVGLSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds4

About 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine

3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine (PubChem CID 129461551) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine
PubChem CID129461551
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine
SMILESC[C@H](c1cccnc1)N1CCC[C@H]1Cn1cncn1
InChIInChI=1S/C14H19N5/c1-12(13-4-2-6-15-8-13)19-7-3-5-14(19)9-18-11-16-10-17-18/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t12-,14+/m1/s1
InChIKeyLZTUOJFDLLVRJU-OCCSQVGLSA-N
XLogP1.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine?
The IUPAC name of 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine (CID 129461551) is 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine?
The canonical SMILES for 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine is C[C@H](c1cccnc1)N1CCC[C@H]1Cn1cncn1.
What is the InChIKey of 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine?
The InChIKey is LZTUOJFDLLVRJU-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H19N5/c1-12(13-4-2-6-15-8-13)19-7-3-5-14(19)9-18-11-16-10-17-18/h2,4,6,8,10-12,14H,3,5,7,9H2,1H3/t12-,14+/m1/s1.
What are the key properties of 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine?
3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine has a molecular weight of 257.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 129461551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).