N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H15F3N4O2 — CID 64510030

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1nc(CN(C)C(=O)CCOCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H15F3N4O2/c1-7-14-8(16-15-7)5-17(2)9(18)3-4-19-6-10(11,12)13/h3-6H2,1-2H3,(H,14,15,16)
InChIKeyREBXELTZTYQZOG-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.04
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 64510030) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID64510030
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1nc(CN(C)C(=O)CCOCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H15F3N4O2/c1-7-14-8(16-15-7)5-17(2)9(18)3-4-19-6-10(11,12)13/h3-6H2,1-2H3,(H,14,15,16)
InChIKeyREBXELTZTYQZOG-UHFFFAOYSA-N
XLogP1.04
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 71928811
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 72123494
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 129260774
N-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 54885328
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62792644
methyl 3-[(3-amino-1H-1,2,4-triazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 62794356
2,2,2-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64510249
3,3,3-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510849
3,3,3-trifluoro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64511374
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 64511451
2,2,2-trifluoroethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
CID 64516960
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64546464

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 64510030) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is Cc1nc(CN(C)C(=O)CCOCC(F)(F)F)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is REBXELTZTYQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-7-14-8(16-15-7)5-17(2)9(18)3-4-19-6-10(11,12)13/h3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 280.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 64510030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).