3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

C9H9BrN6O — CID 79733803

IUPAC3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(NC(=O)c2nc(N)n[nH]2)ncc1Br
InChIInChI=1S/C9H9BrN6O/c1-4-2-6(12-3-5(4)10)13-8(17)7-14-9(11)16-15-7/h2-3H,1H3,(H,12,13,17)(H3,11,14,15,16)
InChIKeyWUFPFSQJZXMSMH-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.11
Rot. Bonds2

About 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 79733803) has the molecular formula C9H9BrN6O and a molecular weight of 297.12 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID79733803
Molecular FormulaC9H9BrN6O
Molecular Weight297.12 g/mol
Exact Mass296.00
IUPAC Name3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(NC(=O)c2nc(N)n[nH]2)ncc1Br
InChIInChI=1S/C9H9BrN6O/c1-4-2-6(12-3-5(4)10)13-8(17)7-14-9(11)16-15-7/h2-3H,1H3,(H,12,13,17)(H3,11,14,15,16)
InChIKeyWUFPFSQJZXMSMH-UHFFFAOYSA-N
XLogP1.11
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 79734498
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
CID 79734210
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246
3-amino-5-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylbenzamide
CID 107872932
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79735742
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79734496
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 79841640

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (CID 79733803) is 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is Cc1cc(NC(=O)c2nc(N)n[nH]2)ncc1Br.
What is the InChIKey of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WUFPFSQJZXMSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN6O/c1-4-2-6(12-3-5(4)10)13-8(17)7-14-9(11)16-15-7/h2-3H,1H3,(H,12,13,17)(H3,11,14,15,16).
What are the key properties of 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 297.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 79733803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).