N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide

C8H9F3N4O — CID 175323593

IUPACN-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCn1nc(C(=O)NC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N4O/c1-15-13-5(6(14-15)8(9,10)11)7(16)12-4-2-3-4/h4H,2-3H2,1H3,(H,12,16)
InChIKeyOVZNAZNTHMGFEK-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.73
Rot. Bonds2

About N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide

N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide (PubChem CID 175323593) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide
PubChem CID175323593
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC NameN-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide
SMILESCn1nc(C(=O)NC2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N4O/c1-15-13-5(6(14-15)8(9,10)11)7(16)12-4-2-3-4/h4H,2-3H2,1H3,(H,12,16)
InChIKeyOVZNAZNTHMGFEK-UHFFFAOYSA-N
XLogP0.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide (CID 175323593) is N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide is Cn1nc(C(=O)NC2CC2)c(C(F)(F)F)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide?
The InChIKey is OVZNAZNTHMGFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c1-15-13-5(6(14-15)8(9,10)11)7(16)12-4-2-3-4/h4H,2-3H2,1H3,(H,12,16).
What are the key properties of N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide?
N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-(trifluoromethyl)triazole-4-carboxamide is sourced from PubChem (CID 175323593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).