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

C16H20ClN5O — CID 112942174

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1cnnc(N2CCCCC2)n1
InChIInChI=1S/C16H20ClN5O/c1-11-8-13(14(23-2)9-12(11)17)19-15-10-18-21-16(20-15)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyNCPTUSRDWOHNKR-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.58
Rot. Bonds4

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

N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (PubChem CID 112942174) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
PubChem CID112942174
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1cnnc(N2CCCCC2)n1
InChIInChI=1S/C16H20ClN5O/c1-11-8-13(14(23-2)9-12(11)17)19-15-10-18-21-16(20-15)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyNCPTUSRDWOHNKR-UHFFFAOYSA-N
XLogP3.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyrimidin-4-amine
CID 112926765
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-[(2-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950450
4-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 112926661
3-(azepan-1-yl)-N-(2,3-dichlorophenyl)-1,2,4-triazin-5-amine
CID 112961449
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967183
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963288
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960690
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112942873
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946068
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954103

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine (CID 112942174) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is COc1cc(Cl)c(C)cc1Nc1cnnc(N2CCCCC2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
The InChIKey is NCPTUSRDWOHNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-11-8-13(14(23-2)9-12(11)17)19-15-10-18-21-16(20-15)22-6-4-3-5-7-22/h8-10H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine has a molecular weight of 333.82 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).