6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

C17H15N5 — CID 143183374

IUPAC6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3cnn(Cc4ccccc4)c3)cn12
InChIInChI=1S/C17H15N5/c1-13-19-20-17-8-7-15(12-22(13)17)16-9-18-21(11-16)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
InChIKeyVOHNJVKJYIYFCW-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.95
Rot. Bonds3

About 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine

6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 143183374) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID143183374
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3cnn(Cc4ccccc4)c3)cn12
InChIInChI=1S/C17H15N5/c1-13-19-20-17-8-7-15(12-22(13)17)16-9-18-21(11-16)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3
InChIKeyVOHNJVKJYIYFCW-UHFFFAOYSA-N
XLogP2.95
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(1-benzylpyrazol-4-yl)aniline
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1-benzyl-4-[4-(4-chlorobut-1-en-2-yl)phenyl]pyrazole
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4-[(4-phenylpyrazol-1-yl)methyl]benzenecarbothioamide
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[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 130861609
1-[(4-tert-butylphenyl)methyl]-4-(1-phenylpyrazol-4-yl)pyrazole
CID 47012731
1-[(3-chlorophenyl)methyl]-4-(3-iodophenyl)pyrazole
CID 79787414
N'-(1-benzylpyrazol-4-yl)ethanimidamide
CID 131165771
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 122184536
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 143183374) is 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2ccc(-c3cnn(Cc4ccccc4)c3)cn12.
What is the InChIKey of 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VOHNJVKJYIYFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-13-19-20-17-8-7-15(12-22(13)17)16-9-18-21(11-16)10-14-5-3-2-4-6-14/h2-9,11-12H,10H2,1H3.
What are the key properties of 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine?
6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 289.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrazol-4-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 143183374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).