[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C11H13N5O2 — CID 167763997

IUPAC[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESNCC1(O)CN(C(=O)c2ccc3ncnn3c2)C1
InChIInChI=1S/C11H13N5O2/c12-4-11(18)5-15(6-11)10(17)8-1-2-9-13-7-14-16(9)3-8/h1-3,7,18H,4-6,12H2
InChIKeyCPESTVQNDXAPAL-UHFFFAOYSA-N
MW247.26 g/mol
LogP-1.13
Rot. Bonds2

About [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 167763997) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID167763997
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESNCC1(O)CN(C(=O)c2ccc3ncnn3c2)C1
InChIInChI=1S/C11H13N5O2/c12-4-11(18)5-15(6-11)10(17)8-1-2-9-13-7-14-16(9)3-8/h1-3,7,18H,4-6,12H2
InChIKeyCPESTVQNDXAPAL-UHFFFAOYSA-N
XLogP-1.13
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 167763997) is [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is NCC1(O)CN(C(=O)c2ccc3ncnn3c2)C1.
What is the InChIKey of [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is CPESTVQNDXAPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-4-11(18)5-15(6-11)10(17)8-1-2-9-13-7-14-16(9)3-8/h1-3,7,18H,4-6,12H2.
What are the key properties of [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
[3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 247.26 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-hydroxyazetidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 167763997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).