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

C12H19ClFN5 — CID 176918056

IUPAC6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCCCN1C[C@H](F)C[C@@H](Nc2nnc(Cl)c(C)n2)C1
InChIInChI=1S/C12H19ClFN5/c1-3-4-19-6-9(14)5-10(7-19)16-12-15-8(2)11(13)17-18-12/h9-10H,3-7H2,1-2H3,(H,15,16,18)/t9-,10-/m1/s1
InChIKeyGLVIGQOFLALTBA-NXEZZACHSA-N
MW287.77 g/mol
LogP2.07
Rot. Bonds4

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

6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (PubChem CID 176918056) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
PubChem CID176918056
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC Name6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCCCN1C[C@H](F)C[C@@H](Nc2nnc(Cl)c(C)n2)C1
InChIInChI=1S/C12H19ClFN5/c1-3-4-19-6-9(14)5-10(7-19)16-12-15-8(2)11(13)17-18-12/h9-10H,3-7H2,1-2H3,(H,15,16,18)/t9-,10-/m1/s1
InChIKeyGLVIGQOFLALTBA-NXEZZACHSA-N
XLogP2.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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-5-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,2,4-triazin-3-amine
CID 176918010
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (CID 176918056) is 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is CCCN1C[C@H](F)C[C@@H](Nc2nnc(Cl)c(C)n2)C1.
What is the InChIKey of 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is GLVIGQOFLALTBA-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19ClFN5/c1-3-4-19-6-9(14)5-10(7-19)16-12-15-8(2)11(13)17-18-12/h9-10H,3-7H2,1-2H3,(H,15,16,18)/t9-,10-/m1/s1.
What are the key properties of 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 287.77 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).