[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol

C14H17N3O — CID 117156317

IUPAC[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
SMILESCc1cccc(-c2nc3n(n2)CCC(CO)C3)c1
InChIInChI=1S/C14H17N3O/c1-10-3-2-4-12(7-10)14-15-13-8-11(9-18)5-6-17(13)16-14/h2-4,7,11,18H,5-6,8-9H2,1H3
InChIKeyCRXMEMCHKGYFFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.81
Rot. Bonds2

About [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol

[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol (PubChem CID 117156317) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
PubChem CID117156317
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
SMILESCc1cccc(-c2nc3n(n2)CCC(CO)C3)c1
InChIInChI=1S/C14H17N3O/c1-10-3-2-4-12(7-10)14-15-13-8-11(9-18)5-6-17(13)16-14/h2-4,7,11,18H,5-6,8-9H2,1H3
InChIKeyCRXMEMCHKGYFFA-UHFFFAOYSA-N
XLogP1.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol with MolForge

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Related Compounds

[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156323
(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
CID 117156315
[2-(5-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156248
2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965478
2-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117128570
[2-(3-bromophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153661
[1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-yl]methanol
CID 116972855
2-(3-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82567820
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 82568015
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
3-[8-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenol
CID 117157535
[2-(3-methoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156094

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol (CID 117156317) is [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol is Cc1cccc(-c2nc3n(n2)CCC(CO)C3)c1.
What is the InChIKey of [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
The InChIKey is CRXMEMCHKGYFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-2-4-12(7-10)14-15-13-8-11(9-18)5-6-17(13)16-14/h2-4,7,11,18H,5-6,8-9H2,1H3.
What are the key properties of [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol?
[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol is sourced from PubChem (CID 117156317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).