3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione

C7H12N4O2 — CID 123276977

IUPAC3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione
SMILESCC1=NNC(=O)CCCC(=O)NN1
InChIInChI=1S/C7H12N4O2/c1-5-8-10-6(12)3-2-4-7(13)11-9-5/h2-4H2,1H3,(H,8,9)(H,10,12)(H,11,13)
InChIKeyHJHOQBVJTWTERJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.76
Rot. Bonds

About 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione

3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione (PubChem CID 123276977) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione.

Molecular Properties

Compound Name3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione
PubChem CID123276977
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione
SMILESCC1=NNC(=O)CCCC(=O)NN1
InChIInChI=1S/C7H12N4O2/c1-5-8-10-6(12)3-2-4-7(13)11-9-5/h2-4H2,1H3,(H,8,9)(H,10,12)(H,11,13)
InChIKeyHJHOQBVJTWTERJ-UHFFFAOYSA-N
XLogP-0.76
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione?
The IUPAC name of 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione (CID 123276977) is 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione.
What is the SMILES notation for 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione?
The canonical SMILES for 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione is CC1=NNC(=O)CCCC(=O)NN1.
What is the InChIKey of 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione?
The InChIKey is HJHOQBVJTWTERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5-8-10-6(12)3-2-4-7(13)11-9-5/h2-4H2,1H3,(H,8,9)(H,10,12)(H,11,13).
What are the key properties of 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione?
3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione has a molecular weight of 184.20 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,5,7,8,9-hexahydro-1,2,4,5-tetrazecine-6,10-dione is sourced from PubChem (CID 123276977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).