N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

C20H16F6N6O — CID 165154694

IUPACN-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccnc1-n1ncc(C2CC2)n1
InChIInChI=1S/C20H16F6N6O/c1-10(16-17(28-5-4-27-16)32-29-9-15(31-32)11-2-3-11)30-18(33)12-6-13(19(21,22)23)8-14(7-12)20(24,25)26/h4-11H,2-3H2,1H3,(H,30,33)
InChIKeyNVOCCPXNHKCMAT-UHFFFAOYSA-N
MW470.38 g/mol
LogP4.46
Rot. Bonds5

About N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 165154694) has the molecular formula C20H16F6N6O and a molecular weight of 470.38 g/mol. Its IUPAC name is N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID165154694
Molecular FormulaC20H16F6N6O
Molecular Weight470.38 g/mol
Exact Mass470.13
IUPAC NameN-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccnc1-n1ncc(C2CC2)n1
InChIInChI=1S/C20H16F6N6O/c1-10(16-17(28-5-4-27-16)32-29-9-15(31-32)11-2-3-11)30-18(33)12-6-13(19(21,22)23)8-14(7-12)20(24,25)26/h4-11H,2-3H2,1H3,(H,30,33)
InChIKeyNVOCCPXNHKCMAT-UHFFFAOYSA-N
XLogP4.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 165154694) is N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is CC(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nccnc1-n1ncc(C2CC2)n1.
What is the InChIKey of N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is NVOCCPXNHKCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N6O/c1-10(16-17(28-5-4-27-16)32-29-9-15(31-32)11-2-3-11)30-18(33)12-6-13(19(21,22)23)8-14(7-12)20(24,25)26/h4-11H,2-3H2,1H3,(H,30,33).
What are the key properties of N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 470.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-cyclopropyltriazol-2-yl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 165154694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).