formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

C19H23N7O3 — CID 155937887

IUPACformic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(C2CCc3ncnn3C2)n(CCc2ccccc2)n1.O=CO
InChIInChI=1S/C18H21N7O.CH2O2/c19-15(26)10-16-22-18(14-6-7-17-20-12-21-25(17)11-14)24(23-16)9-8-13-4-2-1-3-5-13;2-1-3/h1-5,12,14H,6-11H2,(H2,19,26);1H,(H,2,3)
InChIKeyYMMBOXFXMIRGKL-UHFFFAOYSA-N
MW397.44 g/mol
LogP0.57
Rot. Bonds6

About formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 155937887) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Nameformic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID155937887
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Nameformic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(C2CCc3ncnn3C2)n(CCc2ccccc2)n1.O=CO
InChIInChI=1S/C18H21N7O.CH2O2/c19-15(26)10-16-22-18(14-6-7-17-20-12-21-25(17)11-14)24(23-16)9-8-13-4-2-1-3-5-13;2-1-3/h1-5,12,14H,6-11H2,(H2,19,26);1H,(H,2,3)
InChIKeyYMMBOXFXMIRGKL-UHFFFAOYSA-N
XLogP0.57
TPSA141.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide with MolForge

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Related Compounds

2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
CID 154565021
2-[5-[1-(oxan-4-yl)piperidin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 157014047
2-[5-[(3R)-1-oxo-3,4-dihydro-2H-isoquinolin-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97436257
2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563353
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038175
2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97438435
2-[1-(2,3-dimethylphenyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1,2,4-triazol-3-yl]acetamide
CID 146040623
6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146039084
3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanoic acid
CID 83879292
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345
N,N-dimethyl-2-[[(2-phenylethylamino)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)methylidene]amino]acetamide;hydroiodide
CID 110041001

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (CID 155937887) is formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(C2CCc3ncnn3C2)n(CCc2ccccc2)n1.O=CO.
What is the InChIKey of formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is YMMBOXFXMIRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O.CH2O2/c19-15(26)10-16-22-18(14-6-7-17-20-12-21-25(17)11-14)24(23-16)9-8-13-4-2-1-3-5-13;2-1-3/h1-5,12,14H,6-11H2,(H2,19,26);1H,(H,2,3).
What are the key properties of formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 397.44 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 155937887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).