4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol

C16H18N4O — CID 115493982

IUPAC4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1nnc2ccccn12
InChIInChI=1S/C16H18N4O/c1-12(10-13-5-7-14(21)8-6-13)17-11-16-19-18-15-4-2-3-9-20(15)16/h2-9,12,17,21H,10-11H2,1H3
InChIKeyAILGXMBDAAHIKE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.16
Rot. Bonds5

About 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol (PubChem CID 115493982) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
PubChem CID115493982
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1nnc2ccccn12
InChIInChI=1S/C16H18N4O/c1-12(10-13-5-7-14(21)8-6-13)17-11-16-19-18-15-4-2-3-9-20(15)16/h2-9,12,17,21H,10-11H2,1H3
InChIKeyAILGXMBDAAHIKE-UHFFFAOYSA-N
XLogP2.16
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol with MolForge

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Related Compounds

(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)hexan-2-amine
CID 51887428
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
4-methyl-2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]phenol
CID 43504771
4-[4-(2-methylpropyl)phenyl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 39277358
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)but-2-enamide
CID 78909463
4-[2-[(1-benzylpyrazol-3-yl)methylamino]propyl]phenol
CID 166194510
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
1-(4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thiourea
CID 9215691
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038

Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol?
The IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol (CID 115493982) is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol?
The canonical SMILES for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol is CC(Cc1ccc(O)cc1)NCc1nnc2ccccn12.
What is the InChIKey of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol?
The InChIKey is AILGXMBDAAHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12(10-13-5-7-14(21)8-6-13)17-11-16-19-18-15-4-2-3-9-20(15)16/h2-9,12,17,21H,10-11H2,1H3.
What are the key properties of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol?
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol has a molecular weight of 282.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol is sourced from PubChem (CID 115493982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).