3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine

C12H13N5O — CID 103123713

IUPAC3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
SMILESCOCCn1cnnc1-c1cnn2ccccc12
InChIInChI=1S/C12H13N5O/c1-18-7-6-16-9-13-15-12(16)10-8-14-17-5-3-2-4-11(10)17/h2-5,8-9H,6-7H2,1H3
InChIKeyCMQNIIMSKREQGQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.24
Rot. Bonds4

About 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine (PubChem CID 103123713) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
PubChem CID103123713
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
SMILESCOCCn1cnnc1-c1cnn2ccccc12
InChIInChI=1S/C12H13N5O/c1-18-7-6-16-9-13-15-12(16)10-8-14-17-5-3-2-4-11(10)17/h2-5,8-9H,6-7H2,1H3
InChIKeyCMQNIIMSKREQGQ-UHFFFAOYSA-N
XLogP1.24
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
CID 103123714
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1H-pyridin-4-one
CID 136812983
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 104559539
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
3-(5-bromo-2-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393754
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
3-(6-methylpyridazin-3-yl)pyrazolo[1,5-a]pyridine
CID 121014681
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine (CID 103123713) is 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine is COCCn1cnnc1-c1cnn2ccccc12.
What is the InChIKey of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is CMQNIIMSKREQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-18-7-6-16-9-13-15-12(16)10-8-14-17-5-3-2-4-11(10)17/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 243.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 103123713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).