N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

C15H19F3N6O4 — CID 171557129

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ncc[nH]1
InChIInChI=1S/C10H15N3O4.C5H4F3N3/c14-6-1-4-17-7(8(6)15)5-13-10(16)9-11-2-3-12-9;6-5(7,8)3-1-10-2-4(9)11-3/h2-3,6-8,14-15H,1,4-5H2,(H,11,12)(H,13,16);1-2H,(H2,9,11)
InChIKeyVGXGENVZAYRDLJ-UHFFFAOYSA-N
MW404.35 g/mol
LogP-0.27
Rot. Bonds3

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine

N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171557129) has the molecular formula C15H19F3N6O4 and a molecular weight of 404.35 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171557129
Molecular FormulaC15H19F3N6O4
Molecular Weight404.35 g/mol
Exact Mass404.14
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ncc[nH]1
InChIInChI=1S/C10H15N3O4.C5H4F3N3/c14-6-1-4-17-7(8(6)15)5-13-10(16)9-11-2-3-12-9;6-5(7,8)3-1-10-2-4(9)11-3/h2-3,6-8,14-15H,1,4-5H2,(H,11,12)(H,13,16);1-2H,(H2,9,11)
InChIKeyVGXGENVZAYRDLJ-UHFFFAOYSA-N
XLogP-0.27
TPSA159.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]formamide
CID 167221338
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]acetamide
CID 170982671
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-5-carboxamide
CID 171557349
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557477
1-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrrolidin-2-one
CID 171558262
N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]-1H-imidazole-2-carboxamide
CID 171558320
2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]acetamide
CID 171558442
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-1H-imidazole-2-carboxamide
CID 171558719
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-2-(2-methylpropyl)-1H-imidazole-5-carboxamide
CID 176953273
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]propanamide
CID 176953429

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171557129) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1ncc[nH]1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is VGXGENVZAYRDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4.C5H4F3N3/c14-6-1-4-17-7(8(6)15)5-13-10(16)9-11-2-3-12-9;6-5(7,8)3-1-10-2-4(9)11-3/h2-3,6-8,14-15H,1,4-5H2,(H,11,12)(H,13,16);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 404.35 g/mol, XLogP of -0.27, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-imidazole-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171557129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).