6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C16H17F3N6S — CID 164860285

IUPAC6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1C2CN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC12
InChIInChI=1S/C16H17F3N6S/c17-16(18,19)13-11(2-1-3-22-13)26-15-14(21)24-12(5-23-15)25-6-9-8(4-20)10(9)7-25/h1-3,5,8-10H,4,6-7,20H2,(H2,21,24)
InChIKeySNKNMWDNVQOBGV-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.26
Rot. Bonds4

About 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 164860285) has the molecular formula C16H17F3N6S and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID164860285
Molecular FormulaC16H17F3N6S
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1C2CN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC12
InChIInChI=1S/C16H17F3N6S/c17-16(18,19)13-11(2-1-3-22-13)26-15-14(21)24-12(5-23-15)25-6-9-8(4-20)10(9)7-25/h1-3,5,8-10H,4,6-7,20H2,(H2,21,24)
InChIKeySNKNMWDNVQOBGV-UHFFFAOYSA-N
XLogP2.26
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

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Related Compounds

(3R,4R)-4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol
CID 139365351
(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 161213468
6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 134401681
(S)-N-[8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 163686081
[3-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl-benzylcarbamic acid
CID 175754850
(4S)-8-[6-amino-5-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine
CID 159693278
3-[(3S)-3-amino-1'-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454750
2-[1-[6-amino-5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]pyrrolidin-3-yl]-3,3,3-trifluoropropanoic acid
CID 146563046
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
3-(3-amino-2-chlorophenyl)sulfanyl-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;5-amino-3-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;3-(2,3-dichlorophenyl)sulfanyl-6-(3-methyl-7-azaspiro[3.5]nonan-7-yl)pyrazin-2-amine;6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 163487752
3-(3-amino-2-chlorophenyl)sulfanyl-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;5-amino-3-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;3-(2,3-dichlorophenyl)sulfanyl-6-(3-methyl-7-azaspiro[3.5]nonan-7-yl)pyrazin-2-amine;6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 158312234

Frequently Asked Questions

What is the IUPAC name of 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 164860285) is 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is NCC1C2CN(c3cnc(Sc4cccnc4C(F)(F)F)c(N)n3)CC12.
What is the InChIKey of 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is SNKNMWDNVQOBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6S/c17-16(18,19)13-11(2-1-3-22-13)26-15-14(21)24-12(5-23-15)25-6-9-8(4-20)10(9)7-25/h1-3,5,8-10H,4,6-7,20H2,(H2,21,24).
What are the key properties of 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 382.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 164860285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).