triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

C12H8N8O2 — CID 161000386

IUPACtriazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESNc1ccn2ncc(C(=O)On3nnc4cccnc43)c2n1
InChIInChI=1S/C12H8N8O2/c13-9-3-5-19-10(16-9)7(6-15-19)12(21)22-20-11-8(17-18-20)2-1-4-14-11/h1-6H,(H2,13,16)
InChIKeyFKDKFXRMSPINLN-UHFFFAOYSA-N
MW296.25 g/mol
LogP-0.28
Rot. Bonds2

About triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 161000386) has the molecular formula C12H8N8O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nametriazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID161000386
Molecular FormulaC12H8N8O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Nametriazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESNc1ccn2ncc(C(=O)On3nnc4cccnc43)c2n1
InChIInChI=1S/C12H8N8O2/c13-9-3-5-19-10(16-9)7(6-15-19)12(21)22-20-11-8(17-18-20)2-1-4-14-11/h1-6H,(H2,13,16)
InChIKeyFKDKFXRMSPINLN-UHFFFAOYSA-N
XLogP-0.28
TPSA126.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

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Related Compounds

triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 142096883
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
5-amino-N-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153105
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
CID 163873045
5-amino-3-ethyl-1-phenylpyrazole-4-carboxylic acid;triazolo[4,5-b]pyridin-3-yl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 87711291
5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274104
triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 153388660
triazolo[4,5-b]pyridin-3-yl 5-amino-3-ethyl-1-(thian-4-yl)pyrazole-4-carboxylate
CID 86628025
[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate
CID 51525371
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;N-methylacetamide;hexafluorophosphate
CID 22667883
tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 175569203

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 161000386) is triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate is Nc1ccn2ncc(C(=O)On3nnc4cccnc43)c2n1.
What is the InChIKey of triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FKDKFXRMSPINLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N8O2/c13-9-3-5-19-10(16-9)7(6-15-19)12(21)22-20-11-8(17-18-20)2-1-4-14-11/h1-6H,(H2,13,16).
What are the key properties of triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate?
triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 296.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 161000386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).