N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C10H9F3N6O2 — CID 56715598

IUPACN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1nc2ncccn2n1
InChIInChI=1S/C10H9F3N6O2/c11-10(12,13)8(21)15-4-3-14-7(20)6-17-9-16-2-1-5-19(9)18-6/h1-2,5H,3-4H2,(H,14,20)(H,15,21)
InChIKeyWHXYLDWCSZRENA-UHFFFAOYSA-N
MW302.22 g/mol
LogP-0.47
Rot. Bonds4

About N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 56715598) has the molecular formula C10H9F3N6O2 and a molecular weight of 302.22 g/mol. Its IUPAC name is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID56715598
Molecular FormulaC10H9F3N6O2
Molecular Weight302.22 g/mol
Exact Mass302.07
IUPAC NameN-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1nc2ncccn2n1
InChIInChI=1S/C10H9F3N6O2/c11-10(12,13)8(21)15-4-3-14-7(20)6-17-9-16-2-1-5-19(9)18-6/h1-2,5H,3-4H2,(H,14,20)(H,15,21)
InChIKeyWHXYLDWCSZRENA-UHFFFAOYSA-N
XLogP-0.47
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 56715598) is N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCNC(=O)C(F)(F)F)c1nc2ncccn2n1.
What is the InChIKey of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WHXYLDWCSZRENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6O2/c11-10(12,13)8(21)15-4-3-14-7(20)6-17-9-16-2-1-5-19(9)18-6/h1-2,5H,3-4H2,(H,14,20)(H,15,21).
What are the key properties of N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 302.22 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 56715598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).