3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione

C10H10N4O2 — CID 91365303

IUPAC3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
SMILESCc1n[nH]c(=O)c2cc3n(c12)CCNC3=O
InChIInChI=1S/C10H10N4O2/c1-5-8-6(9(15)13-12-5)4-7-10(16)11-2-3-14(7)8/h4H,2-3H2,1H3,(H,11,16)(H,13,15)
InChIKeyVDEKAPFRIBWZNG-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.22
Rot. Bonds

About 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione

3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione (PubChem CID 91365303) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione.

Molecular Properties

Compound Name3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
PubChem CID91365303
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
SMILESCc1n[nH]c(=O)c2cc3n(c12)CCNC3=O
InChIInChI=1S/C10H10N4O2/c1-5-8-6(9(15)13-12-5)4-7-10(16)11-2-3-14(7)8/h4H,2-3H2,1H3,(H,11,16)(H,13,15)
InChIKeyVDEKAPFRIBWZNG-UHFFFAOYSA-N
XLogP-0.22
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione with MolForge

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Related Compounds

3-methyl-5-propan-2-yl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
CID 140536966
6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10911822
8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 86288287
1,8-dimethyl-3-piperidin-4-yl-6H-pyrido[2,3-d]pyridazine-2,5-dione;hydrochloride
CID 168985367
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872
6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90036902
9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 18520478
6-cyclopropyl-1-methyl-3H-pyrido[3,4-d]pyridazine-4,7-dione
CID 170700155
8-fluoro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 130281358
8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 130281059
8-fluoro-6-(2-fluoro-4-pyridinyl)-10-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 118341148
2-ethyl-7-methyl-5H-pyrazolo[3,4-d]pyridazin-4-one
CID 168980002

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione?
The IUPAC name of 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione (CID 91365303) is 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione.
What is the SMILES notation for 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione?
The canonical SMILES for 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione is Cc1n[nH]c(=O)c2cc3n(c12)CCNC3=O.
What is the InChIKey of 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione?
The InChIKey is VDEKAPFRIBWZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-5-8-6(9(15)13-12-5)4-7-10(16)11-2-3-14(7)8/h4H,2-3H2,1H3,(H,11,16)(H,13,15).
What are the key properties of 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione?
3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione has a molecular weight of 218.22 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione is sourced from PubChem (CID 91365303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).