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

C13H15N5 — CID 112746241

IUPAC4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCCCc3ccccc32)n1
InChIInChI=1S/C13H15N5/c14-12-15-9-16-13(17-12)18-8-4-3-6-10-5-1-2-7-11(10)18/h1-2,5,7,9H,3-4,6,8H2,(H2,14,15,16,17)
InChIKeyNZHVDICDLFDOON-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.93
Rot. Bonds1

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

4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 112746241) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine
PubChem CID112746241
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCCCc3ccccc32)n1
InChIInChI=1S/C13H15N5/c14-12-15-9-16-13(17-12)18-8-4-3-6-10-5-1-2-7-11(10)18/h1-2,5,7,9H,3-4,6,8H2,(H2,14,15,16,17)
InChIKeyNZHVDICDLFDOON-UHFFFAOYSA-N
XLogP1.93
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80751669
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-3,4-dihydro-2H-quinoline
CID 112898916
4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-amine
CID 79910683
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136949
4-chloro-6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62869344
[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine
CID 81247869
2-propan-2-yl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80959581
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 22531404
1-(5-bromo-6-methyl-2-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine
CID 114047648
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112891691

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine (CID 112746241) is 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine is Nc1ncnc(N2CCCCc3ccccc32)n1.
What is the InChIKey of 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is NZHVDICDLFDOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-12-15-9-16-13(17-12)18-8-4-3-6-10-5-1-2-7-11(10)18/h1-2,5,7,9H,3-4,6,8H2,(H2,14,15,16,17).
What are the key properties of 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine?
4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 241.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 112746241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).