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

C16H19F3N6O4 — CID 171558715

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1cnccn1
InChIInChI=1S/C11H15N3O4.C5H4F3N3/c15-8-1-4-18-9(10(8)16)6-14-11(17)7-5-12-2-3-13-7;6-5(7,8)3-1-10-2-4(9)11-3/h2-3,5,8-10,15-16H,1,4,6H2,(H,14,17);1-2H,(H2,9,11)
InChIKeyKEOYFPPSQMGMEC-UHFFFAOYSA-N
MW416.36 g/mol
LogP-0.21
Rot. Bonds3

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

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558715) has the molecular formula C16H19F3N6O4 and a molecular weight of 416.36 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558715
Molecular FormulaC16H19F3N6O4
Molecular Weight416.36 g/mol
Exact Mass416.14
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1cnccn1
InChIInChI=1S/C11H15N3O4.C5H4F3N3/c15-8-1-4-18-9(10(8)16)6-14-11(17)7-5-12-2-3-13-7;6-5(7,8)3-1-10-2-4(9)11-3/h2-3,5,8-10,15-16H,1,4,6H2,(H,14,17);1-2H,(H2,9,11)
InChIKeyKEOYFPPSQMGMEC-UHFFFAOYSA-N
XLogP-0.21
TPSA156.37 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

1-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-3-piperidin-4-ylurea
CID 167221959
3-[4-[2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 171400163
2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylcarbamoyl]pyrimidine-5-carboxylic acid
CID 171556669
methyl 5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]pyrazine-2-carboxylate
CID 171556708
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrimidine-5-carboxamide
CID 171556865
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556994
5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 171557097
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]-1,3-oxazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557410
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557477
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrazine-2-carboxamide
CID 171557671
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171557760

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine (CID 171558715) is N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.O=C(NCC1OCCC(O)C1O)c1cnccn1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is KEOYFPPSQMGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4.C5H4F3N3/c15-8-1-4-18-9(10(8)16)6-14-11(17)7-5-12-2-3-13-7;6-5(7,8)3-1-10-2-4(9)11-3/h2-3,5,8-10,15-16H,1,4,6H2,(H,14,17);1-2H,(H2,9,11).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine?
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 416.36 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrazine-2-carboxamide;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).