5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine

C17H22N4 — CID 103055458

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN2CCc3ccccc3C2)cn1
InChIInChI=1S/C17H22N4/c1-2-8-18-17-11-19-16(10-20-17)13-21-9-7-14-5-3-4-6-15(14)12-21/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,18,20)
InChIKeyGJYFYSOLKXZJDH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.86
Rot. Bonds5

About 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine (PubChem CID 103055458) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine
PubChem CID103055458
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CN2CCc3ccccc3C2)cn1
InChIInChI=1S/C17H22N4/c1-2-8-18-17-11-19-16(10-20-17)13-21-9-7-14-5-3-4-6-15(14)12-21/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,18,20)
InChIKeyGJYFYSOLKXZJDH-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103502336
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103056437
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propylpyrazin-2-amine
CID 103056605
6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyridin-3-ol
CID 82974168
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
CID 103056990
2-[1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidin-4-yl]oxyethanol
CID 103056751
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
CID 79761275
N-methyl-1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidine-4-carboxamide
CID 103056085
5-[[3-(dimethylamino)piperidin-1-yl]methyl]-N-propylpyrazin-2-amine
CID 103056582
N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
CID 80823221

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine (CID 103055458) is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine is CCCNc1cnc(CN2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine?
The InChIKey is GJYFYSOLKXZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-8-18-17-11-19-16(10-20-17)13-21-9-7-14-5-3-4-6-15(14)12-21/h3-6,10-11H,2,7-9,12-13H2,1H3,(H,18,20).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine?
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine is sourced from PubChem (CID 103055458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).