1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone

C13H14N4O — CID 21121018

IUPAC1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone
SMILESCC(=O)N1c2c(nc3c(C)cccn23)C=CC1N
InChIInChI=1S/C13H14N4O/c1-8-4-3-7-16-12(8)15-10-5-6-11(14)17(9(2)18)13(10)16/h3-7,11H,14H2,1-2H3
InChIKeyUBVHOTRCESUDKY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.31
Rot. Bonds

About 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone

1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone (PubChem CID 21121018) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone
PubChem CID21121018
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone
SMILESCC(=O)N1c2c(nc3c(C)cccn23)C=CC1N
InChIInChI=1S/C13H14N4O/c1-8-4-3-7-16-12(8)15-10-5-6-11(14)17(9(2)18)13(10)16/h3-7,11H,14H2,1-2H3
InChIKeyUBVHOTRCESUDKY-UHFFFAOYSA-N
XLogP1.31
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone with MolForge

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Related Compounds

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CID 2736259
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1-(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 84661486
1-[(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 39146550
2-amino-1-(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84688822
(8-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82506589
8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 55249748
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
2-tert-butyl-8-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 79015469
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
4,7,7,9,9-pentamethyl-6,8-dihydropyrido[1,2-a]benzimidazole
CID 103961742
2-cyclopropyl-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405090

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone?
The IUPAC name of 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone (CID 21121018) is 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone.
What is the SMILES notation for 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone?
The canonical SMILES for 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone is CC(=O)N1c2c(nc3c(C)cccn23)C=CC1N.
What is the InChIKey of 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone?
The InChIKey is UBVHOTRCESUDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-3-7-16-12(8)15-10-5-6-11(14)17(9(2)18)13(10)16/h3-7,11H,14H2,1-2H3.
What are the key properties of 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone?
1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone has a molecular weight of 242.28 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-10-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),5,8,10,12-pentaen-3-yl)ethanone is sourced from PubChem (CID 21121018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).