1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol

C16H21N3O2 — CID 107078070

IUPAC1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1OCc1nnc2n1CCCC2
InChIInChI=1S/C16H21N3O2/c1-2-13(20)12-7-3-4-8-14(12)21-11-16-18-17-15-9-5-6-10-19(15)16/h3-4,7-8,13,20H,2,5-6,9-11H2,1H3
InChIKeyCZVDJMAQVNVEJD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol

1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol (PubChem CID 107078070) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol
PubChem CID107078070
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1OCc1nnc2n1CCCC2
InChIInChI=1S/C16H21N3O2/c1-2-13(20)12-7-3-4-8-14(12)21-11-16-18-17-15-9-5-6-10-19(15)16/h3-4,7-8,13,20H,2,5-6,9-11H2,1H3
InChIKeyCZVDJMAQVNVEJD-UHFFFAOYSA-N
XLogP2.64
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol with MolForge

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Related Compounds

1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
CID 107076518
3-[(2-tert-butylphenoxy)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 107078778
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
CID 78930150
[2-formyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]boronic acid
CID 166428730
1-[5-bromo-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]ethanamine
CID 107076656
2-ethoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 46447238
2-ethoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 7177812
1-[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-ol
CID 55109330
4-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076335
2-fluoro-6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzonitrile
CID 103849655
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol (CID 107078070) is 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol is CCC(O)c1ccccc1OCc1nnc2n1CCCC2.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol?
The InChIKey is CZVDJMAQVNVEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-13(20)12-7-3-4-8-14(12)21-11-16-18-17-15-9-5-6-10-19(15)16/h3-4,7-8,13,20H,2,5-6,9-11H2,1H3.
What are the key properties of 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol?
1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 107078070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).