5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine

C22H25N5O — CID 45193544

IUPAC5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1cccc(-c2cnnc(N(C)CC3Cc4ccccc4CN3C)n2)c1
InChIInChI=1S/C22H25N5O/c1-26-14-18-8-5-4-7-16(18)11-19(26)15-27(2)22-24-21(13-23-25-22)17-9-6-10-20(12-17)28-3/h4-10,12-13,19H,11,14-15H2,1-3H3
InChIKeyMXKQSCVONKUPAT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.04
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine

5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 45193544) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID45193544
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1cccc(-c2cnnc(N(C)CC3Cc4ccccc4CN3C)n2)c1
InChIInChI=1S/C22H25N5O/c1-26-14-18-8-5-4-7-16(18)11-19(26)15-27(2)22-24-21(13-23-25-22)17-9-6-10-20(12-17)28-3/h4-10,12-13,19H,11,14-15H2,1-3H3
InChIKeyMXKQSCVONKUPAT-UHFFFAOYSA-N
XLogP3.04
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine with MolForge

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Related Compounds

N-[[(2S)-1,4-dioxan-2-yl]methyl]-5-(3-methoxyphenyl)-N-methyl-1,2,4-triazin-3-amine
CID 42355549
1-(4-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]piperidin-4-amine
CID 131949346
5-(3-methoxyphenyl)-3-(4-methyl-3-phenylpiperazin-1-yl)-1,2,4-triazine
CID 45238719
1-[6-[methyl-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72921537
5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62342737
5-(3-methoxyphenyl)-N-(4-pyrazol-1-ylbutan-2-yl)-1,2,4-triazin-3-amine
CID 45247586
7-(2-ethylpiperidin-1-yl)-2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3230076
2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide
CID 96573603
2-(3-methoxyphenyl)-6-[1-(2-phenylethyl)piperidin-4-yl]pyrazine
CID 95819598
6-(3-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803311
methyl N-[2-[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-2-oxoethyl]carbamate
CID 96580861

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine (CID 45193544) is 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine is COc1cccc(-c2cnnc(N(C)CC3Cc4ccccc4CN3C)n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is MXKQSCVONKUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26-14-18-8-5-4-7-16(18)11-19(26)15-27(2)22-24-21(13-23-25-22)17-9-6-10-20(12-17)28-3/h4-10,12-13,19H,11,14-15H2,1-3H3.
What are the key properties of 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine?
5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 375.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 45193544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).