N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

C10H11F3N4O2 — CID 62579607

IUPACN-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)NCC1CC1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)7-4-17(16-15-7)5-8(18)14-3-6-1-2-6/h4,6H,1-3,5H2,(H,14,18)
InChIKeyULRKCRTXGVQGNX-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.55
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (PubChem CID 62579607) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
PubChem CID62579607
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC NameN-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C(=O)C(F)(F)F)nn1)NCC1CC1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)7-4-17(16-15-7)5-8(18)14-3-6-1-2-6/h4,6H,1-3,5H2,(H,14,18)
InChIKeyULRKCRTXGVQGNX-UHFFFAOYSA-N
XLogP0.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide (CID 62579607) is N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is O=C(Cn1cc(C(=O)C(F)(F)F)nn1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
The InChIKey is ULRKCRTXGVQGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)7-4-17(16-15-7)5-8(18)14-3-6-1-2-6/h4,6H,1-3,5H2,(H,14,18).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide has a molecular weight of 276.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(2,2,2-trifluoroacetyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62579607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).