tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate

C15H19BrN4O2 — CID 131677117

IUPACtert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccc(Br)cn3n2)C1
InChIInChI=1S/C15H19BrN4O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)13-17-12-5-4-11(16)9-20(12)18-13/h4-5,9-10H,6-8H2,1-3H3
InChIKeyMTAGOQUMDDZVRP-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.22
Rot. Bonds1

About tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 131677117) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate
PubChem CID131677117
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Nametert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccc(Br)cn3n2)C1
InChIInChI=1S/C15H19BrN4O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)13-17-12-5-4-11(16)9-20(12)18-13/h4-5,9-10H,6-8H2,1-3H3
InChIKeyMTAGOQUMDDZVRP-UHFFFAOYSA-N
XLogP3.22
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl (3S)-3-(4-bromo-2-hydroxyphenyl)pyrrolidine-1-carboxylate
CID 59428430
tert-butyl 3-(4-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 130131991
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl 3-(3-bromo-5-methylphenyl)pyrrolidine-1-carboxylate
CID 169498844
tert-butyl 3-(5-bromoindazol-2-yl)piperidine-1-carboxylate
CID 175058391
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
CID 116989906

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 131677117) is tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc3ccc(Br)cn3n2)C1.
What is the InChIKey of tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is MTAGOQUMDDZVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)13-17-12-5-4-11(16)9-20(12)18-13/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 367.25 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 131677117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).