N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine

C17H22N4 — CID 80823221

IUPACN-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
SMILESCCCNc1cncc(N2CCc3ccccc3CC2)n1
InChIInChI=1S/C17H22N4/c1-2-9-19-16-12-18-13-17(20-16)21-10-7-14-5-3-4-6-15(14)8-11-21/h3-6,12-13H,2,7-11H2,1H3,(H,19,20)
InChIKeyJGOZIDPMHBCBGJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.90
Rot. Bonds4

About N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine

N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine (PubChem CID 80823221) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
PubChem CID80823221
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine
SMILESCCCNc1cncc(N2CCc3ccccc3CC2)n1
InChIInChI=1S/C17H22N4/c1-2-9-19-16-12-18-13-17(20-16)21-10-7-14-5-3-4-6-15(14)8-11-21/h3-6,12-13H,2,7-11H2,1H3,(H,19,20)
InChIKeyJGOZIDPMHBCBGJ-UHFFFAOYSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrazin-2-amine
CID 80767778
6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine
CID 80805378
1-[4-[6-(propylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80767680
6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propylpyrazin-2-amine
CID 80814490
6-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 80798375
6-(2,6-dimethylmorpholin-4-yl)-N-propylpyrazin-2-amine
CID 80764263
6-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrazin-2-amine
CID 103541978
N-propyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrazin-2-amine
CID 114541851
6-(3,3-dimethylpiperidin-1-yl)-N-propylpyrazin-2-amine
CID 80835299
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenyl-N-propylpyrimidin-4-amine
CID 112879207
6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
CID 80766785
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine?
The IUPAC name of N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine (CID 80823221) is N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine.
What is the SMILES notation for N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine?
The canonical SMILES for N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine is CCCNc1cncc(N2CCc3ccccc3CC2)n1.
What is the InChIKey of N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine?
The InChIKey is JGOZIDPMHBCBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-9-19-16-12-18-13-17(20-16)21-10-7-14-5-3-4-6-15(14)8-11-21/h3-6,12-13H,2,7-11H2,1H3,(H,19,20).
What are the key properties of N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine?
N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazin-2-amine is sourced from PubChem (CID 80823221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).