3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol

C13H19N5O2 — CID 66269873

IUPAC3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCCOc1ncccc1NCc1cn(CCCO)nn1
InChIInChI=1S/C13H19N5O2/c1-2-20-13-12(5-3-6-14-13)15-9-11-10-18(17-16-11)7-4-8-19/h3,5-6,10,15,19H,2,4,7-9H2,1H3
InChIKeyMBYNQHNNVIRYLT-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.07
Rot. Bonds8

About 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66269873) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66269873
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol
SMILESCCOc1ncccc1NCc1cn(CCCO)nn1
InChIInChI=1S/C13H19N5O2/c1-2-20-13-12(5-3-6-14-13)15-9-11-10-18(17-16-11)7-4-8-19/h3,5-6,10,15,19H,2,4,7-9H2,1H3
InChIKeyMBYNQHNNVIRYLT-UHFFFAOYSA-N
XLogP1.07
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688
3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylbenzamide
CID 66269308
2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
CID 66269794
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
3-[4-[(4-tert-butylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269664
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66397464
3-[4-[(2,4-difluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66268338
3-[4-[(4-chloro-2-fluoroanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270446
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
3-[4-[(2-bromo-5-chloroanilino)methyl]triazol-1-yl]propan-1-ol
CID 81263435
3-[4-[(4-butan-2-ylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66269871
3-[4-[(2-chloro-4-iodoanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270447

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol (CID 66269873) is 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol is CCOc1ncccc1NCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is MBYNQHNNVIRYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-20-13-12(5-3-6-14-13)15-9-11-10-18(17-16-11)7-4-8-19/h3,5-6,10,15,19H,2,4,7-9H2,1H3.
What are the key properties of 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 277.33 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66269873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).