(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone

C18H19N5O2 — CID 72933391

IUPAC(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1nnc3nc(C)ccn13)CC2
InChIInChI=1S/C18H19N5O2/c1-12-5-10-23-16(20-21-18(23)19-12)17(24)22-8-6-13-3-4-15(25-2)11-14(13)7-9-22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFPHCMNLOHBLWIA-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.68
Rot. Bonds2

About (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone

(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone (PubChem CID 72933391) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
PubChem CID72933391
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1nnc3nc(C)ccn13)CC2
InChIInChI=1S/C18H19N5O2/c1-12-5-10-23-16(20-21-18(23)19-12)17(24)22-8-6-13-3-4-15(25-2)11-14(13)7-9-22/h3-5,10-11H,6-9H2,1-2H3
InChIKeyFPHCMNLOHBLWIA-UHFFFAOYSA-N
XLogP1.68
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-5-yl-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 72870990
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90509931
7-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 56819733
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
6-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 46983234
phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110726098
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylphenoxy)ethanone
CID 110726113
4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]butanoic acid
CID 122022714
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
The IUPAC name of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone (CID 72933391) is (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
The canonical SMILES for (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone is COc1ccc2c(c1)CCN(C(=O)c1nnc3nc(C)ccn13)CC2.
What is the InChIKey of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
The InChIKey is FPHCMNLOHBLWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-5-10-23-16(20-21-18(23)19-12)17(24)22-8-6-13-3-4-15(25-2)11-14(13)7-9-22/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone?
(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 72933391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).