4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine

C14H17N5O — CID 80837205

IUPAC4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(N2CCc3ccccc3CC2)n1
InChIInChI=1S/C14H17N5O/c1-20-14-17-12(15)16-13(18-14)19-8-6-10-4-2-3-5-11(10)7-9-19/h2-5H,6-9H2,1H3,(H2,15,16,17,18)
InChIKeyXNNKKRDNYZAPJD-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.07
Rot. Bonds2

About 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine

4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine (PubChem CID 80837205) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
PubChem CID80837205
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(N2CCc3ccccc3CC2)n1
InChIInChI=1S/C14H17N5O/c1-20-14-17-12(15)16-13(18-14)19-8-6-10-4-2-3-5-11(10)7-9-19/h2-5H,6-9H2,1H3,(H2,15,16,17,18)
InChIKeyXNNKKRDNYZAPJD-UHFFFAOYSA-N
XLogP1.07
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80823660
4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 80793675
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854590
4-(3-methoxyphenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80866937
6-methoxy-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
CID 80822609
4-(chloromethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
CID 28688828
2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862624
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
4-(2-cyclopentylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80820078
4-(4-amino-6-methoxy-1,3,5-triazin-2-yl)piperazin-2-one
CID 80763853
4-(benzotriazol-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854027
4-(2-bromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80859993

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine (CID 80837205) is 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine is COc1nc(N)nc(N2CCc3ccccc3CC2)n1.
What is the InChIKey of 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is XNNKKRDNYZAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-14-17-12(15)16-13(18-14)19-8-6-10-4-2-3-5-11(10)7-9-19/h2-5H,6-9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine?
4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 271.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80837205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).