3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H15F2N5 — CID 139295520

IUPAC3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CC(c2nnc3c(N)nccn23)CC(F)(F)C1
InChIInChI=1S/C12H15F2N5/c1-7-4-8(6-12(13,14)5-7)10-17-18-11-9(15)16-2-3-19(10)11/h2-3,7-8H,4-6H2,1H3,(H2,15,16)
InChIKeyCQVQLAZXXORQFJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.25
Rot. Bonds1

About 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 139295520) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID139295520
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCC1CC(c2nnc3c(N)nccn23)CC(F)(F)C1
InChIInChI=1S/C12H15F2N5/c1-7-4-8(6-12(13,14)5-7)10-17-18-11-9(15)16-2-3-19(10)11/h2-3,7-8H,4-6H2,1H3,(H2,15,16)
InChIKeyCQVQLAZXXORQFJ-UHFFFAOYSA-N
XLogP2.25
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

3-Isobutyl-[1,2,4]triazolo[4,3-A]pyrazine
CID 124172548
3-propan-2-yl-N-[(2S)-4,4,4-trifluoro-2-methylbutyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 164637185
8-Chloro-3-(4,4-difluorocyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 81932470
8-Chloro-3-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 81932497
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 121415323
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 121415355
3-(2,2-Difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 123909889
N-[(3,3-difluoropiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107520
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 124107526
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107535
N-(2-bicyclo[2.2.1]heptanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 130178358
3-[3-(Trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 134299732

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 139295520) is 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CC1CC(c2nnc3c(N)nccn23)CC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is CQVQLAZXXORQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c1-7-4-8(6-12(13,14)5-7)10-17-18-11-9(15)16-2-3-19(10)11/h2-3,7-8H,4-6H2,1H3,(H2,15,16).
What are the key properties of 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 267.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-5-methylcyclohexyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 139295520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).