3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide

C13H11N7O — CID 104741251

IUPAC3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H11N7O/c14-10-2-1-5-16-12(10)13(21)19-9-3-4-11(17-6-9)20-8-15-7-18-20/h1-8H,14H2,(H,19,21)
InChIKeyKWEDWJGTXMDDDC-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.89
Rot. Bonds3

About 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide

3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 104741251) has the molecular formula C13H11N7O and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID104741251
Molecular FormulaC13H11N7O
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H11N7O/c14-10-2-1-5-16-12(10)13(21)19-9-3-4-11(17-6-9)20-8-15-7-18-20/h1-8H,14H2,(H,19,21)
InChIKeyKWEDWJGTXMDDDC-UHFFFAOYSA-N
XLogP0.89
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 104741251) is 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KWEDWJGTXMDDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O/c14-10-2-1-5-16-12(10)13(21)19-9-3-4-11(17-6-9)20-8-15-7-18-20/h1-8H,14H2,(H,19,21).
What are the key properties of 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).