N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine

C16H20ClN5 — CID 112942668

IUPACN-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCc1c(Cl)cccc1Nc1nncc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-11-6-8-22(9-7-11)15-10-18-21-16(20-15)19-14-5-3-4-13(17)12(14)2/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyIMJMPCWPENCGFJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.81
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112942668) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112942668
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCc1c(Cl)cccc1Nc1nncc(N2CCC(C)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-11-6-8-22(9-7-11)15-10-18-21-16(20-15)19-14-5-3-4-13(17)12(14)2/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyIMJMPCWPENCGFJ-UHFFFAOYSA-N
XLogP3.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942855
ethyl 4-[3-(3-chloro-2-methylanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957041
N-(3,4-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942728
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112942724
methyl 2-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112942696
5-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112942742
N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
N-(3,5-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942649
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112942668) is N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is Cc1c(Cl)cccc1Nc1nncc(N2CCC(C)CC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is IMJMPCWPENCGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-6-8-22(9-7-11)15-10-18-21-16(20-15)19-14-5-3-4-13(17)12(14)2/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 317.82 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112942668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).