tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate

C19H24N6O3 — CID 126480922

IUPACtert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCN3C(=O)OC(C)(C)C)nc21
InChIInChI=1S/C19H24N6O3/c1-19(2,3)28-18(26)24-10-6-8-12(24)15-22-16-11-7-5-9-13(27-4)14(11)21-17(20)25(16)23-15/h5,7,9,12H,6,8,10H2,1-4H3,(H2,20,21)
InChIKeyZCOACNZYMNBYQU-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 126480922) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate
PubChem CID126480922
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Nametert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate
SMILESCOc1cccc2c1nc(N)n1nc(C3CCCN3C(=O)OC(C)(C)C)nc21
InChIInChI=1S/C19H24N6O3/c1-19(2,3)28-18(26)24-10-6-8-12(24)15-22-16-11-7-5-9-13(27-4)14(11)21-17(20)25(16)23-15/h5,7,9,12H,6,8,10H2,1-4H3,(H2,20,21)
InChIKeyZCOACNZYMNBYQU-UHFFFAOYSA-N
XLogP2.94
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate with MolForge

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Related Compounds

2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511061
tert-butyl (2S)-2-[5-(3-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxylate
CID 118355353
2-[1-(1-cyclopropylpyrazol-4-yl)-2-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359195
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572
2-[3-[6-(2-aminopropan-2-yl)-3-pyridinyl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150875
tert-butyl (2R)-2-(2-aminophenyl)pyrrolidine-1-carboxylate
CID 34178068
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
tert-butyl 2-(2,3,6,7-tetramethoxyphenanthren-9-yl)pyrrolidine-1-carboxylate
CID 102166462

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate (CID 126480922) is tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate is COc1cccc2c1nc(N)n1nc(C3CCCN3C(=O)OC(C)(C)C)nc21.
What is the InChIKey of tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is ZCOACNZYMNBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-19(2,3)28-18(26)24-10-6-8-12(24)15-22-16-11-7-5-9-13(27-4)14(11)21-17(20)25(16)23-15/h5,7,9,12H,6,8,10H2,1-4H3,(H2,20,21).
What are the key properties of tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 126480922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).