3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide

C8H10F3N5O — CID 62792679

IUPAC3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)3-16(4-1-2-4)6(17)5-13-7(12)15-14-5/h4H,1-3H2,(H3,12,13,14,15)
InChIKeySQGPIRXGBOHSID-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.55
Rot. Bonds3

About 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62792679) has the molecular formula C8H10F3N5O and a molecular weight of 249.20 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62792679
Molecular FormulaC8H10F3N5O
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C8H10F3N5O/c9-8(10,11)3-16(4-1-2-4)6(17)5-13-7(12)15-14-5/h4H,1-3H2,(H3,12,13,14,15)
InChIKeySQGPIRXGBOHSID-UHFFFAOYSA-N
XLogP0.55
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62792679) is 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SQGPIRXGBOHSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O/c9-8(10,11)3-16(4-1-2-4)6(17)5-13-7(12)15-14-5/h4H,1-3H2,(H3,12,13,14,15).
What are the key properties of 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 249.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62792679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).