7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C17H20N6O — CID 154818806

IUPAC7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccccc1Cn1nc(C)nc1C1CCn2ncnc2C1
InChIInChI=1S/C17H20N6O/c1-12-20-17(13-7-8-22-16(9-13)18-11-19-22)23(21-12)10-14-5-3-4-6-15(14)24-2/h3-6,11,13H,7-10H2,1-2H3
InChIKeyIDBHDEOJSKWDFM-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.96
Rot. Bonds4

About 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 154818806) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID154818806
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccccc1Cn1nc(C)nc1C1CCn2ncnc2C1
InChIInChI=1S/C17H20N6O/c1-12-20-17(13-7-8-22-16(9-13)18-11-19-22)23(21-12)10-14-5-3-4-6-15(14)24-2/h3-6,11,13H,7-10H2,1-2H3
InChIKeyIDBHDEOJSKWDFM-UHFFFAOYSA-N
XLogP1.96
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

acetic acid;(1R,2R,4S)-2-amino-4-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol
CID 155940512
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563824
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 118739859
2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040623
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
(1S,2S,4S)-2-amino-4-[2-benzyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
CID 155938744
3-ethyl-2-[(3R)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 95110449
4-[5-[(2-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine;hydrochloride
CID 154911988
7-(difluoromethyl)-5-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92601814
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 154818806) is 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1ccccc1Cn1nc(C)nc1C1CCn2ncnc2C1.
What is the InChIKey of 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IDBHDEOJSKWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-20-17(13-7-8-22-16(9-13)18-11-19-22)23(21-12)10-14-5-3-4-6-15(14)24-2/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 324.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 154818806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).