1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide

C9H9N5O — CID 141138657

IUPAC1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(N)=O)n2)nc1
InChIInChI=1S/C9H9N5O/c1-6-2-3-7(11-4-6)14-5-12-9(13-14)8(10)15/h2-5H,1H3,(H2,10,15)
InChIKeyRUZOZRWUJFSWQE-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.07
Rot. Bonds2

About 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide

1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide (PubChem CID 141138657) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
PubChem CID141138657
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccc(-n2cnc(C(N)=O)n2)nc1
InChIInChI=1S/C9H9N5O/c1-6-2-3-7(11-4-6)14-5-12-9(13-14)8(10)15/h2-5H,1H3,(H2,10,15)
InChIKeyRUZOZRWUJFSWQE-UHFFFAOYSA-N
XLogP0.07
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carbothioamide
CID 62949824
[1-(5-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62949604
ethane;5-methylpyrimidine-2-carboxamide
CID 171564722
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
CID 175302065
1-(furan-2-yl)-1,2,4-triazole-3-carboxamide
CID 151796248
ethane;1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 144636542
ethane;5-methyl-2-(4-methylpyrazol-1-yl)pyridine
CID 144804358
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
2-(3-amino-1,2,4-triazol-1-yl)-4-methylbenzamide
CID 62308374
1-(4-methyl-2-pyridinyl)-1,2,4-triazole-3-carbothioamide
CID 62951452
2-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681880
1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-carboxylic acid
CID 91754370

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide (CID 141138657) is 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide is Cc1ccc(-n2cnc(C(N)=O)n2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is RUZOZRWUJFSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-6-2-3-7(11-4-6)14-5-12-9(13-14)8(10)15/h2-5H,1H3,(H2,10,15).
What are the key properties of 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 203.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 141138657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).