2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide

C14H16FN5O — CID 61140518

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESNc1ncn(CC(=O)N(Cc2ccc(F)cc2)C2CC2)n1
InChIInChI=1S/C14H16FN5O/c15-11-3-1-10(2-4-11)7-20(12-5-6-12)13(21)8-19-9-17-14(16)18-19/h1-4,9,12H,5-8H2,(H2,16,18)
InChIKeyUGXDMTORTIGEIF-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.19
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 61140518) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID61140518
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESNc1ncn(CC(=O)N(Cc2ccc(F)cc2)C2CC2)n1
InChIInChI=1S/C14H16FN5O/c15-11-3-1-10(2-4-11)7-20(12-5-6-12)13(21)8-19-9-17-14(16)18-19/h1-4,9,12H,5-8H2,(H2,16,18)
InChIKeyUGXDMTORTIGEIF-UHFFFAOYSA-N
XLogP1.19
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)acetamide
CID 61113725
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-bromophenyl)methyl]-N-cyclopropylacetamide
CID 61106358
N-cyclopropyl-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98511802
N-cyclopropyl-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 98886415
N-cyclopropyl-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78813598
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 36509058
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 81076206
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide (CID 61140518) is 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide is Nc1ncn(CC(=O)N(Cc2ccc(F)cc2)C2CC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UGXDMTORTIGEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-11-3-1-10(2-4-11)7-20(12-5-6-12)13(21)8-19-9-17-14(16)18-19/h1-4,9,12H,5-8H2,(H2,16,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 61140518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).