1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C16H23F3N4O2 — CID 171692393

IUPAC1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESCCN1CCCC12CCN(c1cnccn1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4.C2HF3O2/c1-2-18-9-3-4-14(18)5-10-17(11-6-14)13-12-15-7-8-16-13;3-2(4,5)1(6)7/h7-8,12H,2-6,9-11H2,1H3;(H,6,7)
InChIKeyDOCDPMFSNVCMTJ-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.56
Rot. Bonds2

About 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid

1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 171692393) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID171692393
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESCCN1CCCC12CCN(c1cnccn1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4.C2HF3O2/c1-2-18-9-3-4-14(18)5-10-17(11-6-14)13-12-15-7-8-16-13;3-2(4,5)1(6)7/h7-8,12H,2-6,9-11H2,1H3;(H,6,7)
InChIKeyDOCDPMFSNVCMTJ-UHFFFAOYSA-N
XLogP2.56
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396877
1-(cyclopropylmethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396887
(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742793
2-(1-pyrazin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879709
[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone
CID 131679222
1-(cyclopropylmethyl)-7-pyrazin-2-yl-1,7-diazaspiro[3.5]nonane
CID 97399221
2-[4-[(3-chlorothiophen-2-yl)methyl]piperazin-1-yl]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 171321346
N-cyclopentyl-1'-pyrazin-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155857325
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968
3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155856398
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
(11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155864338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 171692393) is 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is CCN1CCCC12CCN(c1cnccn1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is DOCDPMFSNVCMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.C2HF3O2/c1-2-18-9-3-4-14(18)5-10-17(11-6-14)13-12-15-7-8-16-13;3-2(4,5)1(6)7/h7-8,12H,2-6,9-11H2,1H3;(H,6,7).
What are the key properties of 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 360.38 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171692393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).