N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide

C8H5F3N6O — CID 82817019

IUPACN-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nn[nH]n1
InChIInChI=1S/C8H5F3N6O/c9-8(10,11)5-2-1-4(3-12-5)13-7(18)6-14-16-17-15-6/h1-3H,(H,13,18)(H,14,15,16,17)
InChIKeyYEBFNTHCGPLRBN-UHFFFAOYSA-N
MW258.16 g/mol
LogP0.87
Rot. Bonds2

About N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide

N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide (PubChem CID 82817019) has the molecular formula C8H5F3N6O and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide
PubChem CID82817019
Molecular FormulaC8H5F3N6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC NameN-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1nn[nH]n1
InChIInChI=1S/C8H5F3N6O/c9-8(10,11)5-2-1-4(3-12-5)13-7(18)6-14-16-17-15-6/h1-3H,(H,13,18)(H,14,15,16,17)
InChIKeyYEBFNTHCGPLRBN-UHFFFAOYSA-N
XLogP0.87
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide (CID 82817019) is N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1nn[nH]n1.
What is the InChIKey of N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide?
The InChIKey is YEBFNTHCGPLRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N6O/c9-8(10,11)5-2-1-4(3-12-5)13-7(18)6-14-16-17-15-6/h1-3H,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide?
N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide has a molecular weight of 258.16 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-3-pyridinyl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 82817019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).