N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide

C13H19FN4O — CID 91660794

IUPACN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C13H19FN4O/c1-13(2,14)12(19)15-7-10-16-17-11(8-3-4-8)18(10)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,15,19)
InChIKeyPNOOURNBXVJXJQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.85
Rot. Bonds5

About N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide

N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide (PubChem CID 91660794) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
PubChem CID91660794
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC NameN-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C13H19FN4O/c1-13(2,14)12(19)15-7-10-16-17-11(8-3-4-8)18(10)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,15,19)
InChIKeyPNOOURNBXVJXJQ-UHFFFAOYSA-N
XLogP1.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

({5-[1-(aminoacetyl)-4-piperidinyl]-4-cyclopropyl-4H-1,2,4-triazol-3-yl}methyl)dimethylamine dihydrochloride
CID 70731082
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-sulfanylpropanamide
CID 177681333
N-{[3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methyl}acetamide
CID 72920556
N-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 73994627
3-[(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
CID 86801824
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 136531551
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 9450588
(2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 9450589
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 16337524
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386178
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)-4,4,4-trifluorobutanamide
CID 91775394
(2S)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237737

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide (CID 91660794) is N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NCc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is PNOOURNBXVJXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-13(2,14)12(19)15-7-10-16-17-11(8-3-4-8)18(10)9-5-6-9/h8-9H,3-7H2,1-2H3,(H,15,19).
What are the key properties of N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide?
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 91660794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).