4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine

C16H23N5 — CID 97443449

IUPAC4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine
SMILESCCN1CC[C@H](c2nc(-c3ccncc3)nn2C(C)C)C1
InChIInChI=1S/C16H23N5/c1-4-20-10-7-14(11-20)16-18-15(19-21(16)12(2)3)13-5-8-17-9-6-13/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyNARJJSDQFKDVJU-AWEZNQCLSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds4

About 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine

4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine (PubChem CID 97443449) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine
PubChem CID97443449
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine
SMILESCCN1CC[C@H](c2nc(-c3ccncc3)nn2C(C)C)C1
InChIInChI=1S/C16H23N5/c1-4-20-10-7-14(11-20)16-18-15(19-21(16)12(2)3)13-5-8-17-9-6-13/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyNARJJSDQFKDVJU-AWEZNQCLSA-N
XLogP2.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine (CID 97443449) is 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine is CCN1CC[C@H](c2nc(-c3ccncc3)nn2C(C)C)C1.
What is the InChIKey of 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is NARJJSDQFKDVJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5/c1-4-20-10-7-14(11-20)16-18-15(19-21(16)12(2)3)13-5-8-17-9-6-13/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine?
4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 285.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3S)-1-ethylpyrrolidin-3-yl]-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 97443449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).