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

C20H21N5O — CID 112950932

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccccc1CNc1nncc(N2CCCc3ccccc32)n1
InChIInChI=1S/C20H21N5O/c1-26-18-11-5-3-8-16(18)13-21-20-23-19(14-22-24-20)25-12-6-9-15-7-2-4-10-17(15)25/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,21,23,24)
InChIKeyZEVCXAKXQAMFQN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.58
Rot. Bonds5

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

5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 112950932) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
PubChem CID112950932
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccccc1CNc1nncc(N2CCCc3ccccc32)n1
InChIInChI=1S/C20H21N5O/c1-26-18-11-5-3-8-16(18)13-21-20-23-19(14-22-24-20)25-12-6-9-15-7-2-4-10-17(15)25/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,21,23,24)
InChIKeyZEVCXAKXQAMFQN-UHFFFAOYSA-N
XLogP3.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953804
N-[(2-methoxyphenyl)methyl]-5-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-3-amine
CID 112951004
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112962799
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
N-[(2-methoxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950896
N-(4-tert-butylphenyl)-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112962778
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
N-cyclopentyl-5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-amine
CID 112941703
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine (CID 112950932) is 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is COc1ccccc1CNc1nncc(N2CCCc3ccccc32)n1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is ZEVCXAKXQAMFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-26-18-11-5-3-8-16(18)13-21-20-23-19(14-22-24-20)25-12-6-9-15-7-2-4-10-17(15)25/h2-5,7-8,10-11,14H,6,9,12-13H2,1H3,(H,21,23,24).
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine?
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 347.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112950932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).