3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one

C14H15N5O2 — CID 69345757

IUPAC3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one
SMILESCn1nnc2c1C1CN(C2)C(=O)N1OCc1ccccc1
InChIInChI=1S/C14H15N5O2/c1-17-13-11(15-16-17)7-18-8-12(13)19(14(18)20)21-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyYYXZCXKGBVQHNW-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.24
Rot. Bonds3

About 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one

3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one (PubChem CID 69345757) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one.

Molecular Properties

Compound Name3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one
PubChem CID69345757
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one
SMILESCn1nnc2c1C1CN(C2)C(=O)N1OCc1ccccc1
InChIInChI=1S/C14H15N5O2/c1-17-13-11(15-16-17)7-18-8-12(13)19(14(18)20)21-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyYYXZCXKGBVQHNW-UHFFFAOYSA-N
XLogP1.24
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one with MolForge

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Related Compounds

10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one
CID 68925768
methyl formate;10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-9-one
CID 142470615
(1R,7S)-5-methyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxylic acid
CID 135376539
5-(cyclopropylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131662945
10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2,4,6-trien-9-one
CID 142675510
1-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 131644405
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
N,N-dimethyl-2-[1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanamine
CID 134072220
(6R)-5-ethyl-7-phenylmethoxy-1,7-diazabicyclo[4.2.1]nonan-8-one
CID 155352649
(1R,7S)-N,N,5-trimethyl-9-oxo-10-phenylmethoxy-4,5,8,10-tetrazatricyclo[6.2.1.02,6]undeca-2(6),3-diene-7-carboxamide
CID 135207310
5-(cyclobutylmethyl)-1-methyl-7-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 134072219
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848

Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one?
The IUPAC name of 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one (CID 69345757) is 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one.
What is the SMILES notation for 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one?
The canonical SMILES for 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one is Cn1nnc2c1C1CN(C2)C(=O)N1OCc1ccccc1.
What is the InChIKey of 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one?
The InChIKey is YYXZCXKGBVQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-17-13-11(15-16-17)7-18-8-12(13)19(14(18)20)21-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one?
3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one has a molecular weight of 285.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-phenylmethoxy-3,4,5,8,10-pentazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-9-one is sourced from PubChem (CID 69345757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).