5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine

C12H19BN4O2 — CID 153455133

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine
SMILESCC1(C)OB(C2=CC3=CN(N)NN3C=C2)OC1(C)C
InChIInChI=1S/C12H19BN4O2/c1-11(2)12(3,4)19-13(18-11)9-5-6-16-10(7-9)8-17(14)15-16/h5-8,15H,14H2,1-4H3
InChIKeyQEFLCCROHHEHIJ-UHFFFAOYSA-N
MW262.12 g/mol
LogP0.82
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine (PubChem CID 153455133) has the molecular formula C12H19BN4O2 and a molecular weight of 262.12 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine
PubChem CID153455133
Molecular FormulaC12H19BN4O2
Molecular Weight262.12 g/mol
Exact Mass262.16
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine
SMILESCC1(C)OB(C2=CC3=CN(N)NN3C=C2)OC1(C)C
InChIInChI=1S/C12H19BN4O2/c1-11(2)12(3,4)19-13(18-11)9-5-6-16-10(7-9)8-17(14)15-16/h5-8,15H,14H2,1-4H3
InChIKeyQEFLCCROHHEHIJ-UHFFFAOYSA-N
XLogP0.82
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
1-[(E)-2-chloroprop-1-enyl]-2-ethylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 173482359
N-[1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-3-yl]pyrimidin-4-amine
CID 151012399
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
2-[5,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopenta-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102497694
2-(1,2-dihydrophosphinin-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90048473
2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 99738339
[4-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174780510
but-1-ene;ethyl (E)-2-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyridin-1-yl]prop-2-enoate
CID 177232667
4,4,5,5-tetramethyl-2-(2,3,5,6-tetrachlorophenyl)-1,3,2-dioxaborolane
CID 79661640
argon;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 159310309
2,5-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755157

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine (CID 153455133) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine is CC1(C)OB(C2=CC3=CN(N)NN3C=C2)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine?
The InChIKey is QEFLCCROHHEHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BN4O2/c1-11(2)12(3,4)19-13(18-11)9-5-6-16-10(7-9)8-17(14)15-16/h5-8,15H,14H2,1-4H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine has a molecular weight of 262.12 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 153455133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).