2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C15H16N6O — CID 131920552

IUPAC2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1nc2c([nH]1)CN(C(=O)Cn1nc3ccccc3n1)CC2
InChIInChI=1S/C15H16N6O/c1-10-16-11-6-7-20(8-14(11)17-10)15(22)9-21-18-12-4-2-3-5-13(12)19-21/h2-5H,6-9H2,1H3,(H,16,17)
InChIKeyHYLXBJBQBDGZON-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.05
Rot. Bonds2

About 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 131920552) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID131920552
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCc1nc2c([nH]1)CN(C(=O)Cn1nc3ccccc3n1)CC2
InChIInChI=1S/C15H16N6O/c1-10-16-11-6-7-20(8-14(11)17-10)15(22)9-21-18-12-4-2-3-5-13(12)19-21/h2-5H,6-9H2,1H3,(H,16,17)
InChIKeyHYLXBJBQBDGZON-UHFFFAOYSA-N
XLogP1.05
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-[5-[(1S)-1-aminoethyl]-3-phenyl-1,2,4-triazol-1-yl]-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone;dihydrochloride
CID 154921383
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
3-(2-amino-1,3-thiazol-5-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 167881420
3-[5-(2-pyrrolidin-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
CID 135980571
N-[2-(dimethylamino)propyl]-2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 122559105
formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone
CID 154909880
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 72840213
1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butane-1,2-dione
CID 72843643
8-[2-(benzotriazol-2-yl)acetyl]-2-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118785152
2-methyl-6-[2-(9H-xanthen-9-yl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135719567
1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(2-methylbenzimidazol-1-yl)ethanone
CID 170505373

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 131920552) is 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is Cc1nc2c([nH]1)CN(C(=O)Cn1nc3ccccc3n1)CC2.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is HYLXBJBQBDGZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-16-11-6-7-20(8-14(11)17-10)15(22)9-21-18-12-4-2-3-5-13(12)19-21/h2-5H,6-9H2,1H3,(H,16,17).
What are the key properties of 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 131920552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).