1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea

C11H10BrN7O — CID 75506480

IUPAC1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2nc3ccc(Br)cn3n2)cn1
InChIInChI=1S/C11H10BrN7O/c1-18-6-8(4-13-18)14-11(20)16-10-15-9-3-2-7(12)5-19(9)17-10/h2-6H,1H3,(H2,14,16,17,20)
InChIKeyGTLZHQARGZCLAC-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.87
Rot. Bonds2

About 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea

1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 75506480) has the molecular formula C11H10BrN7O and a molecular weight of 336.15 g/mol. Its IUPAC name is 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID75506480
Molecular FormulaC11H10BrN7O
Molecular Weight336.15 g/mol
Exact Mass335.01
IUPAC Name1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2nc3ccc(Br)cn3n2)cn1
InChIInChI=1S/C11H10BrN7O/c1-18-6-8(4-13-18)14-11(20)16-10-15-9-3-2-7(12)5-19(9)17-10/h2-6H,1H3,(H2,14,16,17,20)
InChIKeyGTLZHQARGZCLAC-UHFFFAOYSA-N
XLogP1.87
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea with MolForge

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32609841
3-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 114156336
2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-tert-butylacetamide
CID 115356742
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
CID 61199619
6-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 103007609
2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464949
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
1-butyl-3-(1-methylpyrazol-4-yl)urea
CID 115581879
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
2-fluoro-4-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 107795953
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea (CID 75506480) is 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)Nc2nc3ccc(Br)cn3n2)cn1.
What is the InChIKey of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is GTLZHQARGZCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN7O/c1-18-6-8(4-13-18)14-11(20)16-10-15-9-3-2-7(12)5-19(9)17-10/h2-6H,1H3,(H2,14,16,17,20).
What are the key properties of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 336.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 75506480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).