6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine

C10H15ClFN5 — CID 166152988

IUPAC6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NC2CC(F)CN(C)C2)nnc1Cl
InChIInChI=1S/C10H15ClFN5/c1-6-9(11)15-16-10(13-6)14-8-3-7(12)4-17(2)5-8/h7-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyIRTOEMXXMHRLSW-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.29
Rot. Bonds2

About 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine

6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine (PubChem CID 166152988) has the molecular formula C10H15ClFN5 and a molecular weight of 259.72 g/mol. Its IUPAC name is 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
PubChem CID166152988
Molecular FormulaC10H15ClFN5
Molecular Weight259.72 g/mol
Exact Mass259.10
IUPAC Name6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(NC2CC(F)CN(C)C2)nnc1Cl
InChIInChI=1S/C10H15ClFN5/c1-6-9(11)15-16-10(13-6)14-8-3-7(12)4-17(2)5-8/h7-8H,3-5H2,1-2H3,(H,13,14,16)
InChIKeyIRTOEMXXMHRLSW-UHFFFAOYSA-N
XLogP1.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
2-[3-[[(3R,5S)-5-fluoro-1-methylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 166152944
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-methylcyclobutan-1-ol
CID 166152999
N-(1-tert-butylpiperidin-3-yl)-6-chloro-5-methyl-1,2,4-triazin-3-amine
CID 166152965
trans-(1R,3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]cyclopentane-1-carbonitrile
CID 171763552
6-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]spiro[3.3]heptan-2-ol
CID 171763533
methyl 3-[(3R)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-1-yl]propanoate
CID 171787610
(3S,4S)-3-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]-1-ethylpiperidin-4-ol
CID 176918028
5-[3-[[(3R,5R)-5-fluoro-1-propylpiperidin-3-yl]amino]-5-methyl-1,2,4-triazin-6-yl]-1-benzothiophen-4-ol
CID 176918087
3,6-dichloro-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81035335
3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)cyclopentane-1,3-diamine
CID 171756439

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine (CID 166152988) is 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine is Cc1nc(NC2CC(F)CN(C)C2)nnc1Cl.
What is the InChIKey of 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is IRTOEMXXMHRLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN5/c1-6-9(11)15-16-10(13-6)14-8-3-7(12)4-17(2)5-8/h7-8H,3-5H2,1-2H3,(H,13,14,16).
What are the key properties of 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 259.72 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-fluoro-1-methylpiperidin-3-yl)-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 166152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).