propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

C21H24ClN3O3 — CID 163648454

IUPACpropyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCCCCc1c(Cl)c(OCc2ccccc2)c(C(=O)OCCC)c2ncnn12
InChIInChI=1S/C21H24ClN3O3/c1-3-5-11-16-18(22)19(28-13-15-9-7-6-8-10-15)17(21(26)27-12-4-2)20-23-14-24-25(16)20/h6-10,14H,3-5,11-13H2,1-2H3
InChIKeyIKEZXBZMICUTQR-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.87
Rot. Bonds9

About propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate

propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (PubChem CID 163648454) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namepropyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
PubChem CID163648454
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Namepropyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
SMILESCCCCc1c(Cl)c(OCc2ccccc2)c(C(=O)OCCC)c2ncnn12
InChIInChI=1S/C21H24ClN3O3/c1-3-5-11-16-18(22)19(28-13-15-9-7-6-8-10-15)17(21(26)27-12-4-2)20-23-14-24-25(16)20/h6-10,14H,3-5,11-13H2,1-2H3
InChIKeyIKEZXBZMICUTQR-UHFFFAOYSA-N
XLogP4.87
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

ethyl 6-chloro-5-iodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 58208939
ethyl 5,6-diiodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate;ethyl 7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 158052131
ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate
CID 58208972
propyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 50923904
2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate;dipropyl benzene-1,2-dicarboxylate
CID 158248941
ethyl 5,6-bis(ethenyl)-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate;ethyl 5,6-diethyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 161175078
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
2-O-benzyl 1-O-butyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686763
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
tetradecyl 3-benzyl-2-tetradecoxyimidazole-4-carboxylate
CID 177129670
dibenzyl 3-butylbenzene-1,2-dicarboxylate
CID 23615592
2-(6-chloro-5-ethoxycarbonyl-2-methyl-4-phenylmethoxy-3-pyridinyl)acetic acid
CID 169250757

Frequently Asked Questions

What is the IUPAC name of propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate (CID 163648454) is propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is CCCCc1c(Cl)c(OCc2ccccc2)c(C(=O)OCCC)c2ncnn12.
What is the InChIKey of propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
The InChIKey is IKEZXBZMICUTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-3-5-11-16-18(22)19(28-13-15-9-7-6-8-10-15)17(21(26)27-12-4-2)20-23-14-24-25(16)20/h6-10,14H,3-5,11-13H2,1-2H3.
What are the key properties of propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate?
propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate has a molecular weight of 401.89 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 163648454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).