6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine

C11H15ClF3N5 — CID 176918010

IUPAC6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2)nnc1Cl
InChIInChI=1S/C11H15ClF3N5/c1-7-9(12)18-19-10(16-7)17-8-3-2-4-20(5-8)6-11(13,14)15/h8H,2-6H2,1H3,(H,16,17,19)/t8-/m1/s1
InChIKeySFYZNQDYENENEV-MRVPVSSYSA-N
MW309.72 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine

6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine (PubChem CID 176918010) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
PubChem CID176918010
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2)nnc1Cl
InChIInChI=1S/C11H15ClF3N5/c1-7-9(12)18-19-10(16-7)17-8-3-2-4-20(5-8)6-11(13,14)15/h8H,2-6H2,1H3,(H,16,17,19)/t8-/m1/s1
InChIKeySFYZNQDYENENEV-MRVPVSSYSA-N
XLogP2.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

6-chloro-N-[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 166152957
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
CID 166152988
6-chloro-3-[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,2,4-triazine
CID 171553455
1-(6-chloro-5-methyl-1,2,4-triazin-3-yl)-3,3-difluoro-3a,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 171553533
tert-butyl (3S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-4,4-difluoropiperidine-1-carboxylate
CID 171763519
6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine
CID 171763678
6-chloro-N-[(1S)-3,3-difluorocyclopentyl]-5-methyl-1,2,4-triazin-3-amine
CID 171763707
methyl (3R,5R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-5-fluoropiperidine-1-carboxylate
CID 176185816
6-chloro-N-[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918006
6-chloro-N-[(3R,5R)-1-cyclobutyl-5-fluoropiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918020
6-chloro-N-[(3R,5R)-5-fluoro-1-(2-methoxyethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918035
6-chloro-N-[(3R)-1-(3,3-difluorocyclobutyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
CID 176918045

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine (CID 176918010) is 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCCN(CC(F)(F)F)C2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is SFYZNQDYENENEV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClF3N5/c1-7-9(12)18-19-10(16-7)17-8-3-2-4-20(5-8)6-11(13,14)15/h8H,2-6H2,1H3,(H,16,17,19)/t8-/m1/s1.
What are the key properties of 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine?
6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 309.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).