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

C14H16N4 — CID 80652652

IUPAC5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCCc3ccccc3C2)cn1
InChIInChI=1S/C14H16N4/c15-13-8-17-14(9-16-13)18-7-3-6-11-4-1-2-5-12(11)10-18/h1-2,4-5,8-9H,3,6-7,10H2,(H2,15,16)
InChIKeyZKILBFMTDJLGDL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.01
Rot. Bonds1

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

5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine (PubChem CID 80652652) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
PubChem CID80652652
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
SMILESNc1cnc(N2CCCc3ccccc3C2)cn1
InChIInChI=1S/C14H16N4/c15-13-8-17-14(9-16-13)18-7-3-6-11-4-1-2-5-12(11)10-18/h1-2,4-5,8-9H,3,6-7,10H2,(H2,15,16)
InChIKeyZKILBFMTDJLGDL-UHFFFAOYSA-N
XLogP2.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
2-(5-chloro-2-pyridinyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66232998
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 116796836
ethane;5-piperidin-1-ylpyrazin-2-amine
CID 143786995
4-methyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 78948022
2-[5-(chloromethyl)pyrazin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 107373295
5-fluoro-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80830671
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 63153522
4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
CID 63155391
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
6-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 116796835

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine (CID 80652652) is 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine is Nc1cnc(N2CCCc3ccccc3C2)cn1.
What is the InChIKey of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine?
The InChIKey is ZKILBFMTDJLGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-13-8-17-14(9-16-13)18-7-3-6-11-4-1-2-5-12(11)10-18/h1-2,4-5,8-9H,3,6-7,10H2,(H2,15,16).
What are the key properties of 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine?
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine has a molecular weight of 240.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine is sourced from PubChem (CID 80652652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).