triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate

C11H10N6O2 — CID 142096883

IUPACtriazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)On1nnc2cccnc21
InChIInChI=1S/C11H10N6O2/c1-16-6-7(12)5-9(16)11(18)19-17-10-8(14-15-17)3-2-4-13-10/h2-6H,12H2,1H3
InChIKeyDIUOHEYIAQGNPW-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.02
Rot. Bonds2

About triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate

triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 142096883) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nametriazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID142096883
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Nametriazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)On1nnc2cccnc21
InChIInChI=1S/C11H10N6O2/c1-16-6-7(12)5-9(16)11(18)19-17-10-8(14-15-17)3-2-4-13-10/h2-6H,12H2,1H3
InChIKeyDIUOHEYIAQGNPW-UHFFFAOYSA-N
XLogP0.02
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180
quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322875
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
triazolo[4,5-b]pyridin-3-yl 5-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 161000386
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
CID 163873045
benzotriazol-1-yl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
CID 20700884
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
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
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
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376

Frequently Asked Questions

What is the IUPAC name of triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate (CID 142096883) is triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate is Cn1cc(N)cc1C(=O)On1nnc2cccnc21.
What is the InChIKey of triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is DIUOHEYIAQGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-16-6-7(12)5-9(16)11(18)19-17-10-8(14-15-17)3-2-4-13-10/h2-6H,12H2,1H3.
What are the key properties of triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate?
triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 258.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triazolo[4,5-b]pyridin-3-yl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 142096883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).