3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H18N6 — CID 139296021

IUPAC3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@@H]1C[C@H](C)CN(c2nnc3c(N)nccn23)C1
InChIInChI=1S/C12H18N6/c1-8-5-9(2)7-17(6-8)12-16-15-11-10(13)14-3-4-18(11)12/h3-4,8-9H,5-7H2,1-2H3,(H2,13,14)/t8-,9+
InChIKeyFBVFIRCNPIKVAQ-DTORHVGOSA-N
MW246.32 g/mol
LogP1.19
Rot. Bonds1

About 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139296021) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139296021
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESC[C@@H]1C[C@H](C)CN(c2nnc3c(N)nccn23)C1
InChIInChI=1S/C12H18N6/c1-8-5-9(2)7-17(6-8)12-16-15-11-10(13)14-3-4-18(11)12/h3-4,8-9H,5-7H2,1-2H3,(H2,13,14)/t8-,9+
InChIKeyFBVFIRCNPIKVAQ-DTORHVGOSA-N
XLogP1.19
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

8-chloro-3-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139294883
3-[(1S,3S)-3-methylcyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684329
8-chloro-3-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295704
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 84655220
3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295631
8-bromo-5-(3-methylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine
CID 157322823
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-amine
CID 28845965
3-chloro-4-[5-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 170184863
8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
CID 131154051
1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
CID 155448000
3,5-dichloro-6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine
CID 102755279

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139296021) is 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is C[C@@H]1C[C@H](C)CN(c2nnc3c(N)nccn23)C1.
What is the InChIKey of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is FBVFIRCNPIKVAQ-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-5-9(2)7-17(6-8)12-16-15-11-10(13)14-3-4-18(11)12/h3-4,8-9H,5-7H2,1-2H3,(H2,13,14)/t8-,9+.
What are the key properties of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 246.32 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139296021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).