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

C17H22ClN5O — CID 112960690

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nncc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H22ClN5O/c1-11-5-4-6-23(10-11)16-9-19-22-17(21-16)20-14-7-12(2)13(18)8-15(14)24-3/h7-9,11H,4-6,10H2,1-3H3,(H,20,21,22)
InChIKeyZLSOFFXZJQKZAN-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.82
Rot. Bonds4

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

N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112960690) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112960690
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCOc1cc(Cl)c(C)cc1Nc1nncc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H22ClN5O/c1-11-5-4-6-23(10-11)16-9-19-22-17(21-16)20-14-7-12(2)13(18)8-15(14)24-3/h7-9,11H,4-6,10H2,1-3H3,(H,20,21,22)
InChIKeyZLSOFFXZJQKZAN-UHFFFAOYSA-N
XLogP3.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953220
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
4-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 112926661
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
N-(4-chloro-2-methoxy-5-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942174
5-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112960612
N-[(2-chlorophenyl)methyl]-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112950368
N-(2-methoxyphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926091
N-(2,4-dimethoxyphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941171
N-(4-chloro-2,5-dimethoxyphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926257
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967183

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112960690) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is COc1cc(Cl)c(C)cc1Nc1nncc(N2CCCC(C)C2)n1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is ZLSOFFXZJQKZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-11-5-4-6-23(10-11)16-9-19-22-17(21-16)20-14-7-12(2)13(18)8-15(14)24-3/h7-9,11H,4-6,10H2,1-3H3,(H,20,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 347.85 g/mol, XLogP of 3.82, 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)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).