N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide

C8H11F3N4O — CID 43021026

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-2-3-4-5(16)12-7-13-6(14-15-7)8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15,16)
InChIKeyYBVWWMVBVKLDQN-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.95
Rot. Bonds4

About N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide (PubChem CID 43021026) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
PubChem CID43021026
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide
SMILESCCCCC(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c1-2-3-4-5(16)12-7-13-6(14-15-7)8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15,16)
InChIKeyYBVWWMVBVKLDQN-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide (CID 43021026) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide is CCCCC(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
The InChIKey is YBVWWMVBVKLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-2-3-4-5(16)12-7-13-6(14-15-7)8(9,10)11/h2-4H2,1H3,(H2,12,13,14,15,16).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide has a molecular weight of 236.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pentanamide is sourced from PubChem (CID 43021026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).