N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide

C13H13BrN6O — CID 71857623

IUPACN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C13H13BrN6O/c14-10-3-4-11-16-13(18-20(11)8-10)17-12(21)2-1-6-19-7-5-15-9-19/h3-5,7-9H,1-2,6H2,(H,17,18,21)
InChIKeyNXKRXTGUAJDKNJ-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.11
Rot. Bonds5

About N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide

N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide (PubChem CID 71857623) has the molecular formula C13H13BrN6O and a molecular weight of 349.19 g/mol. Its IUPAC name is N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide
PubChem CID71857623
Molecular FormulaC13H13BrN6O
Molecular Weight349.19 g/mol
Exact Mass348.03
IUPAC NameN-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide
SMILESO=C(CCCn1ccnc1)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C13H13BrN6O/c14-10-3-4-11-16-13(18-20(11)8-10)17-12(21)2-1-6-19-7-5-15-9-19/h3-5,7-9H,1-2,6H2,(H,17,18,21)
InChIKeyNXKRXTGUAJDKNJ-UHFFFAOYSA-N
XLogP2.11
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide?
The IUPAC name of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide (CID 71857623) is N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide.
What is the SMILES notation for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide?
The canonical SMILES for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide is O=C(CCCn1ccnc1)Nc1nc2ccc(Br)cn2n1.
What is the InChIKey of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide?
The InChIKey is NXKRXTGUAJDKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6O/c14-10-3-4-11-16-13(18-20(11)8-10)17-12(21)2-1-6-19-7-5-15-9-19/h3-5,7-9H,1-2,6H2,(H,17,18,21).
What are the key properties of N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide?
N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide has a molecular weight of 349.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-imidazol-1-ylbutanamide is sourced from PubChem (CID 71857623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).