5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide

C10H13F3N4O — CID 114159090

IUPAC5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC2(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C10H13F3N4O/c1-2-3-6-14-7(17-16-6)8(18)15-9(4-5-9)10(11,12)13/h2-5H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyUWGOXSRNXOWXKE-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.58
Rot. Bonds4

About 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide

5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 114159090) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID114159090
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC2(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C10H13F3N4O/c1-2-3-6-14-7(17-16-6)8(18)15-9(4-5-9)10(11,12)13/h2-5H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyUWGOXSRNXOWXKE-UHFFFAOYSA-N
XLogP1.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 57033281
5-cyclopropyl-1H-1,2,4-triazole-3-carboxamide
CID 80368521
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1,1,1-trifluoropropan-2-amine
CID 79788705
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 79812029
2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80367718
3,3,3-trifluoro-2-methyl-2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]propanoic acid
CID 80367796
2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 80368834
3,3,3-trifluoro-2-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]propanoic acid
CID 80368911
5-tert-butyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377068
5-propyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377069
5-ethyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377080
5-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80377085

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide (CID 114159090) is 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NC2(C(F)(F)F)CC2)n[nH]1.
What is the InChIKey of 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is UWGOXSRNXOWXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-2-3-6-14-7(17-16-6)8(18)15-9(4-5-9)10(11,12)13/h2-5H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide?
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 114159090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).