3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

C15H19N5O — CID 90644328

IUPAC3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESc1ncc(-c2nnn3c2CCCC3)cc1OC[C@@H]1CCN1
InChIInChI=1S/C15H19N5O/c1-2-6-20-14(3-1)15(18-19-20)11-7-13(9-16-8-11)21-10-12-4-5-17-12/h7-9,12,17H,1-6,10H2/t12-/m0/s1
InChIKeyBCOXOAZXKYUVMZ-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.42
Rot. Bonds4

About 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine

3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (PubChem CID 90644328) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
PubChem CID90644328
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine
SMILESc1ncc(-c2nnn3c2CCCC3)cc1OC[C@@H]1CCN1
InChIInChI=1S/C15H19N5O/c1-2-6-20-14(3-1)15(18-19-20)11-7-13(9-16-8-11)21-10-12-4-5-17-12/h7-9,12,17H,1-6,10H2/t12-/m0/s1
InChIKeyBCOXOAZXKYUVMZ-LBPRGKRZSA-N
XLogP1.42
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The IUPAC name of 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine (CID 90644328) is 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The canonical SMILES for 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is c1ncc(-c2nnn3c2CCCC3)cc1OC[C@@H]1CCN1.
What is the InChIKey of 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
The InChIKey is BCOXOAZXKYUVMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-6-20-14(3-1)15(18-19-20)11-7-13(9-16-8-11)21-10-12-4-5-17-12/h7-9,12,17H,1-6,10H2/t12-/m0/s1.
What are the key properties of 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine?
3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine has a molecular weight of 285.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine is sourced from PubChem (CID 90644328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).