5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide

C7H9F3N4O — CID 68593429

IUPAC5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(CNCC(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)3-12-1-4-2-13-6(14-4)5(11)15/h2,12H,1,3H2,(H2,11,15)(H,13,14)
InChIKeyCUNNWKSCRLRBHX-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.16
Rot. Bonds4

About 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide

5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide (PubChem CID 68593429) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide
PubChem CID68593429
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide
SMILESNC(=O)c1ncc(CNCC(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)3-12-1-4-2-13-6(14-4)5(11)15/h2,12H,1,3H2,(H2,11,15)(H,13,14)
InChIKeyCUNNWKSCRLRBHX-UHFFFAOYSA-N
XLogP0.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide (CID 68593429) is 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide is NC(=O)c1ncc(CNCC(F)(F)F)[nH]1.
What is the InChIKey of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is CUNNWKSCRLRBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)3-12-1-4-2-13-6(14-4)5(11)15/h2,12H,1,3H2,(H2,11,15)(H,13,14).
What are the key properties of 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide?
5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,2-trifluoroethylamino)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 68593429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).