N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

C16H20ClN5 — CID 112941921

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1cc(C)c(Nc2nncc(N3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN5/c1-11-8-12(2)15(13(17)9-11)20-16-19-14(10-18-21-16)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyFFNSFXSFNJEYNX-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.88
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine

N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (PubChem CID 112941921) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
PubChem CID112941921
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
SMILESCc1cc(C)c(Nc2nncc(N3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C16H20ClN5/c1-11-8-12(2)15(13(17)9-11)20-16-19-14(10-18-21-16)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyFFNSFXSFNJEYNX-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941981
4-[3-(2,4,6-trimethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946569
N-(2-chloro-4,6-dimethylphenyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856110
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
ethyl 4-[3-(2,4,6-trimethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carboxylate
CID 112957031
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941132
N-(4-bromo-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941199
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149
N-(2,6-dichlorophenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942732
5-(azepan-1-yl)-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938975
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112966752
N-phenyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941887

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine (CID 112941921) is N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is Cc1cc(C)c(Nc2nncc(N3CCCCC3)n2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
The InChIKey is FFNSFXSFNJEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-11-8-12(2)15(13(17)9-11)20-16-19-14(10-18-21-16)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine?
N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine has a molecular weight of 317.82 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112941921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).