11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

C10H14N4O — CID 175829008

IUPAC11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
SMILESCC1Cc2nn3c(c2CN1)C(=O)NCC3
InChIInChI=1S/C10H14N4O/c1-6-4-8-7(5-12-6)9-10(15)11-2-3-14(9)13-8/h6,12H,2-5H2,1H3,(H,11,15)
InChIKeyGGMIYASYNSXDMR-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.34
Rot. Bonds

About 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one

11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (PubChem CID 175829008) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.

Molecular Properties

Compound Name11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
PubChem CID175829008
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
SMILESCC1Cc2nn3c(c2CN1)C(=O)NCC3
InChIInChI=1S/C10H14N4O/c1-6-4-8-7(5-12-6)9-10(15)11-2-3-14(9)13-8/h6,12H,2-5H2,1H3,(H,11,15)
InChIKeyGGMIYASYNSXDMR-UHFFFAOYSA-N
XLogP-0.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The IUPAC name of 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one (CID 175829008) is 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one.
What is the SMILES notation for 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The canonical SMILES for 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is CC1Cc2nn3c(c2CN1)C(=O)NCC3.
What is the InChIKey of 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
The InChIKey is GGMIYASYNSXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-4-8-7(5-12-6)9-10(15)11-2-3-14(9)13-8/h6,12H,2-5H2,1H3,(H,11,15).
What are the key properties of 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one?
11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one has a molecular weight of 206.25 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one is sourced from PubChem (CID 175829008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).