6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine

C18H25N5O — CID 175867644

IUPAC6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCOc1cc(C)cc(C)c1-c1cnc(N[C@@H]2CCCN(C)C2)nn1
InChIInChI=1S/C18H25N5O/c1-12-8-13(2)17(16(9-12)24-4)15-10-19-18(22-21-15)20-14-6-5-7-23(3)11-14/h8-10,14H,5-7,11H2,1-4H3,(H,19,20,22)/t14-/m1/s1
InChIKeyMLMBNBBAXYVSQQ-CQSZACIVSA-N
MW327.43 g/mol
LogP2.67
Rot. Bonds4

About 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine

6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine (PubChem CID 175867644) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
PubChem CID175867644
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCOc1cc(C)cc(C)c1-c1cnc(N[C@@H]2CCCN(C)C2)nn1
InChIInChI=1S/C18H25N5O/c1-12-8-13(2)17(16(9-12)24-4)15-10-19-18(22-21-15)20-14-6-5-7-23(3)11-14/h8-10,14H,5-7,11H2,1-4H3,(H,19,20,22)/t14-/m1/s1
InChIKeyMLMBNBBAXYVSQQ-CQSZACIVSA-N
XLogP2.67
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

5-chloro-3-methyl-2-[3-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170156002
2-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905785
2-[3-[[6-[2,4-dimethyl-6-(propoxymethoxy)phenyl]-1,2,4-triazin-3-yl]amino]piperidin-1-yl]acetaldehyde
CID 170260589
2-(2-methoxy-4,6-dimethylphenyl)-7-(1-methylpiperidin-3-yl)-1,8-naphthyridine
CID 171085659
7-fluoro-6-(2-methoxy-4,6-dimethylphenyl)-3-(1-methylpiperidin-3-yl)pyrido[2,3-b]pyrazine
CID 171085518
ethane;5-methyl-N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 143709690
N-(4-fluoro-3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 114838333
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
5-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-3-yl)imidazo[1,2-d][1,2,4]triazin-8-amine
CID 177182534
2-[2-methoxy-6-methyl-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 176905820
7-chloro-5-(4-chloro-2-methoxy-6-methylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 176905845
6-(5-methoxy-2,3-dihydro-1H-inden-4-yl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 172518745

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine (CID 175867644) is 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine is COc1cc(C)cc(C)c1-c1cnc(N[C@@H]2CCCN(C)C2)nn1.
What is the InChIKey of 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is MLMBNBBAXYVSQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-8-13(2)17(16(9-12)24-4)15-10-19-18(22-21-15)20-14-6-5-7-23(3)11-14/h8-10,14H,5-7,11H2,1-4H3,(H,19,20,22)/t14-/m1/s1.
What are the key properties of 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4,6-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 175867644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).