10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

C11H13N3O4 — CID 130254940

IUPAC10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESCC1CCN2Cn3cc(O)c(=O)c(O)c3C(=O)N12
InChIInChI=1S/C11H13N3O4/c1-6-2-3-13-5-12-4-7(15)9(16)10(17)8(12)11(18)14(6)13/h4,6,15,17H,2-3,5H2,1H3
InChIKeyRVSKDVPOIVOOSX-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.32
Rot. Bonds

About 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione

10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (PubChem CID 130254940) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.

Molecular Properties

Compound Name10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
PubChem CID130254940
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
SMILESCC1CCN2Cn3cc(O)c(=O)c(O)c3C(=O)N12
InChIInChI=1S/C11H13N3O4/c1-6-2-3-13-5-12-4-7(15)9(16)10(17)8(12)11(18)14(6)13/h4,6,15,17H,2-3,5H2,1H3
InChIKeyRVSKDVPOIVOOSX-UHFFFAOYSA-N
XLogP-0.32
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

10,12-dihydroxy-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 130255395
2-ethyl-9-hydroxy-3,7-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione;9-hydroxy-2,3-bis(2-methoxyethyl)-7-methyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione;10-hydroxy-6,12-dimethyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 161396365
10-hydroxy-12-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione
CID 130310665
acetylene;11,13-dihydroxy-5-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;ethene
CID 145021014
7,9-dihydroxy-2,3-bis(2-methoxyethyl)-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 130255132
(3S,4S,5R,6R)-11,13-dihydroxy-5-methyl-1,8-diazapentacyclo[8.4.0.03,8.04,6.05,7]tetradeca-10,13-diene-9,12-dione
CID 137482043
(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 122696193
(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione
CID 130310648
11-hydroxy-7-methyl-9,12-dioxo-4-(thian-4-yl)-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carbaldehyde
CID 130181190
2-ethyl-9-hydroxy-3,7-dimethyl-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
CID 130310690
(5S)-N-[(4-fluorophenyl)methyl]-11-hydroxy-4,5-dimethyl-9,12-dioxo-3-sulfanyl-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
CID 130273435
(3S,6S)-11-hydroxy-6-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 91208249

Frequently Asked Questions

What is the IUPAC name of 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The IUPAC name of 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione (CID 130254940) is 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione.
What is the SMILES notation for 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The canonical SMILES for 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is CC1CCN2Cn3cc(O)c(=O)c(O)c3C(=O)N12.
What is the InChIKey of 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
The InChIKey is RVSKDVPOIVOOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6-2-3-13-5-12-4-7(15)9(16)10(17)8(12)11(18)14(6)13/h4,6,15,17H,2-3,5H2,1H3.
What are the key properties of 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione?
10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione has a molecular weight of 251.24 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dihydroxy-6-methyl-1,3,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-8,11-dione is sourced from PubChem (CID 130254940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).