2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

C10H12N6O — CID 106283558

IUPAC2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N)c1ncn[nH]1
InChIInChI=1S/C10H12N6O/c1-6(9-13-5-14-16-9)15-10(17)7-3-2-4-12-8(7)11/h2-6H,1H3,(H2,11,12)(H,15,17)(H,13,14,16)
InChIKeyXRGWBBCSKFADCA-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106283558) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID106283558
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N)c1ncn[nH]1
InChIInChI=1S/C10H12N6O/c1-6(9-13-5-14-16-9)15-10(17)7-3-2-4-12-8(7)11/h2-6H,1H3,(H2,11,12)(H,15,17)(H,13,14,16)
InChIKeyXRGWBBCSKFADCA-UHFFFAOYSA-N
XLogP0.27
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 55069299
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 103716638
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (CID 106283558) is 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1N)c1ncn[nH]1.
What is the InChIKey of 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is XRGWBBCSKFADCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-6(9-13-5-14-16-9)15-10(17)7-3-2-4-12-8(7)11/h2-6H,1H3,(H2,11,12)(H,15,17)(H,13,14,16).
What are the key properties of 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106283558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).