3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol

C15H16N4O — CID 43230942

IUPAC3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
SMILESCC(NCc1cccc(O)c1)c1nnc2ccccn12
InChIInChI=1S/C15H16N4O/c1-11(16-10-12-5-4-6-13(20)9-12)15-18-17-14-7-2-3-8-19(14)15/h2-9,11,16,20H,10H2,1H3
InChIKeyPBGCLPHDCRRIJJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds4

About 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol

3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol (PubChem CID 43230942) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
PubChem CID43230942
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
SMILESCC(NCc1cccc(O)c1)c1nnc2ccccn12
InChIInChI=1S/C15H16N4O/c1-11(16-10-12-5-4-6-13(20)9-12)15-18-17-14-7-2-3-8-19(14)15/h2-9,11,16,20H,10H2,1H3
InChIKeyPBGCLPHDCRRIJJ-UHFFFAOYSA-N
XLogP2.29
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697749
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]benzene-1,2-diol
CID 61317861
6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]pyridin-3-ol
CID 79775807
N-[(5-bromo-3-pyridinyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 104578543
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43230914
2-bromo-6-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol
CID 61390944
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862
N-[[4-(difluoromethoxy)phenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919850
N-[(4-butoxy-3-ethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 119164163
(1R)-N-[(2-chlorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697737
N-[(5-ethylfuran-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 62345446
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945

Frequently Asked Questions

What is the IUPAC name of 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol (CID 43230942) is 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol is CC(NCc1cccc(O)c1)c1nnc2ccccn12.
What is the InChIKey of 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol?
The InChIKey is PBGCLPHDCRRIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11(16-10-12-5-4-6-13(20)9-12)15-18-17-14-7-2-3-8-19(14)15/h2-9,11,16,20H,10H2,1H3.
What are the key properties of 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol?
3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 43230942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).