2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

C11H11F3N6O — CID 79875536

IUPAC2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1ncn[nH]1
InChIInChI=1S/C11H11F3N6O/c12-11(13,14)7-2-1-6(9(15)21)10(19-7)16-4-3-8-17-5-18-20-8/h1-2,5H,3-4H2,(H2,15,21)(H,16,19)(H,17,18,20)
InChIKeyROLJCNHGGRTGAY-UHFFFAOYSA-N
MW300.24 g/mol
LogP0.97
Rot. Bonds5

About 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875536) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875536
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1ncn[nH]1
InChIInChI=1S/C11H11F3N6O/c12-11(13,14)7-2-1-6(9(15)21)10(19-7)16-4-3-8-17-5-18-20-8/h1-2,5H,3-4H2,(H2,15,21)(H,16,19)(H,17,18,20)
InChIKeyROLJCNHGGRTGAY-UHFFFAOYSA-N
XLogP0.97
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875539
2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875665
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 64530665
2-(2-methoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869543
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridine-3-carboxamide
CID 64530064
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106277197
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612
6-(trifluoromethyl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carbothioamide
CID 79877179

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875536) is 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NCCc1ncn[nH]1.
What is the InChIKey of 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ROLJCNHGGRTGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c12-11(13,14)7-2-1-6(9(15)21)10(19-7)16-4-3-8-17-5-18-20-8/h1-2,5H,3-4H2,(H2,15,21)(H,16,19)(H,17,18,20).
What are the key properties of 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).