3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C17H23N3O — CID 136559841

IUPAC3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(C)c(OCc2nnc3n2CC(C)(C)CC3)c1
InChIInChI=1S/C17H23N3O/c1-12-5-6-13(2)14(9-12)21-10-16-19-18-15-7-8-17(3,4)11-20(15)16/h5-6,9H,7-8,10-11H2,1-4H3
InChIKeyVTCIAPFDTFXNKI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.45
Rot. Bonds3

About 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559841) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559841
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc(C)c(OCc2nnc3n2CC(C)(C)CC3)c1
InChIInChI=1S/C17H23N3O/c1-12-5-6-13(2)14(9-12)21-10-16-19-18-15-7-8-17(3,4)11-20(15)16/h5-6,9H,7-8,10-11H2,1-4H3
InChIKeyVTCIAPFDTFXNKI-UHFFFAOYSA-N
XLogP3.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

4-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)benzoic acid
CID 107076427
3-[(2,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39374269
3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine 7,7-dioxide
CID 136557079
3-[(2,5-dimethylphenoxy)methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82061219
N-cyclohexyl-2-[[5-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6495812
3-[(4-methylphenoxy)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine 7,7-dioxide
CID 136557082
2-[[5-[(2,5-dimethylphenoxy)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 6500207
4-fluoro-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)aniline
CID 107076335
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453755
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
3-[(3S)-1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 129403708

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559841) is 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc(C)c(OCc2nnc3n2CC(C)(C)CC3)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VTCIAPFDTFXNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-6-13(2)14(9-12)21-10-16-19-18-15-7-8-17(3,4)11-20(15)16/h5-6,9H,7-8,10-11H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 285.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).