5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine

C16H21N5 — CID 112953116

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
SMILESCCN(CC)c1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C16H21N5/c1-3-20(4-2)16-18-15(11-17-19-16)21-10-9-13-7-5-6-8-14(13)12-21/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyJTUKMMXKDUZPCC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.28
Rot. Bonds4

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine (PubChem CID 112953116) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
PubChem CID112953116
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine
SMILESCCN(CC)c1nncc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C16H21N5/c1-3-20(4-2)16-18-15(11-17-19-16)21-10-9-13-7-5-6-8-14(13)12-21/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKeyJTUKMMXKDUZPCC-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112918985
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpyrimidin-2-amine
CID 112894232
2-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112942590
N-benzyl-N-ethyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112946145
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112951171
N-benzyl-N-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942585
2-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 112953240
N-[(4-chlorophenyl)methyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112950606
N-(5-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1,2,4-triazin-3-amine
CID 112953161
N,N-diethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112958320
N-benzyl-N-ethyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112951722
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 112953176

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine (CID 112953116) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine is CCN(CC)c1nncc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine?
The InChIKey is JTUKMMXKDUZPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-20(4-2)16-18-15(11-17-19-16)21-10-9-13-7-5-6-8-14(13)12-21/h5-8,11H,3-4,9-10,12H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112953116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).