N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide

C10H10BrN5O — CID 102820490

IUPACN-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1cc(Br)ccn1
InChIInChI=1S/C10H10BrN5O/c11-8-1-3-12-9(7-8)14-10(17)2-5-16-6-4-13-15-16/h1,3-4,6-7H,2,5H2,(H,12,14,17)
InChIKeyDTZHWSLWYHRGRW-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.46
Rot. Bonds4

About N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide

N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide (PubChem CID 102820490) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
PubChem CID102820490
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC NameN-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)Nc1cc(Br)ccn1
InChIInChI=1S/C10H10BrN5O/c11-8-1-3-12-9(7-8)14-10(17)2-5-16-6-4-13-15-16/h1,3-4,6-7H,2,5H2,(H,12,14,17)
InChIKeyDTZHWSLWYHRGRW-UHFFFAOYSA-N
XLogP1.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-(4-bromo-2-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 43111903
(E)-3-[2-[3-(triazol-1-yl)propanoylamino]-4-pyridinyl]prop-2-enoic acid
CID 102822114
N-(4-bromo-3,5-dimethylphenyl)-3-(triazol-1-yl)propanamide
CID 106491096
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
CID 103789698
N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
5-methyl-2-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28791181
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide (CID 102820490) is N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide?
The InChIKey is DTZHWSLWYHRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c11-8-1-3-12-9(7-8)14-10(17)2-5-16-6-4-13-15-16/h1,3-4,6-7H,2,5H2,(H,12,14,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide?
N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide has a molecular weight of 296.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 102820490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).