7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

C16H21F3N6O3 — CID 155844401

IUPAC7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncn(Cc2cn3c(n2)CN(CC2CCOC2)CC3)n1
InChIInChI=1S/C14H20N6O.C2HF3O2/c1-4-21-9-12(1)5-18-2-3-19-6-13(17-14(19)8-18)7-20-11-15-10-16-20;3-2(4,5)1(6)7/h6,10-12H,1-5,7-9H2;(H,6,7)
InChIKeyAHKYKJRWIKAVLB-UHFFFAOYSA-N
MW402.38 g/mol
LogP1.01
Rot. Bonds4

About 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155844401) has the molecular formula C16H21F3N6O3 and a molecular weight of 402.38 g/mol. Its IUPAC name is 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155844401
Molecular FormulaC16H21F3N6O3
Molecular Weight402.38 g/mol
Exact Mass402.16
IUPAC Name7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ncn(Cc2cn3c(n2)CN(CC2CCOC2)CC3)n1
InChIInChI=1S/C14H20N6O.C2HF3O2/c1-4-21-9-12(1)5-18-2-3-19-6-13(17-14(19)8-18)7-20-11-15-10-16-20;3-2(4,5)1(6)7/h6,10-12H,1-5,7-9H2;(H,6,7)
InChIKeyAHKYKJRWIKAVLB-UHFFFAOYSA-N
XLogP1.01
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(cyclohexylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743083
7-(cyclopentylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743090
8-methyl-7-(oxan-4-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743362
8-methyl-7-(oxan-4-yl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744079
8-methyl-7-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155823458
7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155825096
7-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826800
7-(oxan-4-ylmethyl)-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155836799
7-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155841737
7-(cyclopropylmethyl)-8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155848568
7-(oxolan-3-yl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155853716
7-(Oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155854106

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155844401) is 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ncn(Cc2cn3c(n2)CN(CC2CCOC2)CC3)n1.
What is the InChIKey of 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is AHKYKJRWIKAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.C2HF3O2/c1-4-21-9-12(1)5-18-2-3-19-6-13(17-14(19)8-18)7-20-11-15-10-16-20;3-2(4,5)1(6)7/h6,10-12H,1-5,7-9H2;(H,6,7).
What are the key properties of 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 402.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).