8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine

C16H15ClN4O — CID 134130869

IUPAC8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C16H15ClN4O/c17-15-13(22-10-12-2-1-6-18-9-12)5-7-21-14(8-11-3-4-11)19-20-16(15)21/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyBWNJRBUSCRVUHW-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.31
Rot. Bonds5

About 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 134130869) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID134130869
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C16H15ClN4O/c17-15-13(22-10-12-2-1-6-18-9-12)5-7-21-14(8-11-3-4-11)19-20-16(15)21/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyBWNJRBUSCRVUHW-UHFFFAOYSA-N
XLogP3.31
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

8-chloro-3-(cyclopropylmethyl)-7-iodo-[1,2,4]triazolo[4,3-a]pyridine
CID 66785913
8-chloro-3-(cyclopropylmethyl)-7-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459512
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
3-(cyclopropylmethyl)-7-(4-pyridin-3-ylpiperidin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459542
3-[[4-chloro-2-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 86879280
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine (CID 134130869) is 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine is Clc1c(OCc2cccnc2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BWNJRBUSCRVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c17-15-13(22-10-12-2-1-6-18-9-12)5-7-21-14(8-11-3-4-11)19-20-16(15)21/h1-2,5-7,9,11H,3-4,8,10H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 314.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 134130869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).