1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine

C12H13N3 — CID 157014235

IUPAC1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
SMILESCc1nnc2n1Cc1ccccc1CC2
InChIInChI=1S/C12H13N3/c1-9-13-14-12-7-6-10-4-2-3-5-11(10)8-15(9)12/h2-5H,6-8H2,1H3
InChIKeyLURWNOPFCWFCLD-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.73
Rot. Bonds

About 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine

1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine (PubChem CID 157014235) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine.

Molecular Properties

Compound Name1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
PubChem CID157014235
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
SMILESCc1nnc2n1Cc1ccccc1CC2
InChIInChI=1S/C12H13N3/c1-9-13-14-12-7-6-10-4-2-3-5-11(10)8-15(9)12/h2-5H,6-8H2,1H3
InChIKeyLURWNOPFCWFCLD-UHFFFAOYSA-N
XLogP1.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 164690562
1-[(4-methylpiperazin-1-yl)methyl]-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 155909031
1-(1-methylpiperidin-2-yl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 162636407
formic acid;1-(piperidin-1-ylmethyl)-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 163341544
3-methyl-7-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 157015653
3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b]isoquinoline
CID 58783665
N-ethyl-N'-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 119157741
8-methyl-6,12-dihydro-5H-pyrido[1,2-b][2]benzazepin-10-one
CID 145135540
ethane;3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 143209062
2-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 91067326
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-indene;5,6,7,8,9,10-hexahydrobenzo[8]annulene;6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene;5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene;1,2-xylene
CID 159244193

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The IUPAC name of 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine (CID 157014235) is 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine.
What is the SMILES notation for 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The canonical SMILES for 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine is Cc1nnc2n1Cc1ccccc1CC2.
What is the InChIKey of 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
The InChIKey is LURWNOPFCWFCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-13-14-12-7-6-10-4-2-3-5-11(10)8-15(9)12/h2-5H,6-8H2,1H3.
What are the key properties of 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine?
1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine has a molecular weight of 199.26 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine is sourced from PubChem (CID 157014235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).