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

C9H12F3N5O — CID 119264014

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCCNC1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)7-15-8(17-16-7)14-6(18)5-2-1-3-13-4-5/h5,13H,1-4H2,(H2,14,15,16,17,18)
InChIKeyGQGCLZCPJPXVQI-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.76
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide (PubChem CID 119264014) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
PubChem CID119264014
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCCNC1
InChIInChI=1S/C9H12F3N5O/c10-9(11,12)7-15-8(17-16-7)14-6(18)5-2-1-3-13-4-5/h5,13H,1-4H2,(H2,14,15,16,17,18)
InChIKeyGQGCLZCPJPXVQI-UHFFFAOYSA-N
XLogP0.76
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide (CID 119264014) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCCNC1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
The InChIKey is GQGCLZCPJPXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c10-9(11,12)7-15-8(17-16-7)14-6(18)5-2-1-3-13-4-5/h5,13H,1-4H2,(H2,14,15,16,17,18).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119264014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).