11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one

C12H10N4O — CID 68561888

IUPAC11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one
SMILESCN1N=NC2C(=O)n3c(cc4ccccc43)C21
InChIInChI=1S/C12H10N4O/c1-15-11-9-6-7-4-2-3-5-8(7)16(9)12(17)10(11)13-14-15/h2-6,10-11H,1H3
InChIKeyHQPKRIBMBKRNMN-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.02
Rot. Bonds

About 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one

11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one (PubChem CID 68561888) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one.

Molecular Properties

Compound Name11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one
PubChem CID68561888
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one
SMILESCN1N=NC2C(=O)n3c(cc4ccccc43)C21
InChIInChI=1S/C12H10N4O/c1-15-11-9-6-7-4-2-3-5-8(7)16(9)12(17)10(11)13-14-15/h2-6,10-11H,1H3
InChIKeyHQPKRIBMBKRNMN-UHFFFAOYSA-N
XLogP2.02
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one?
The IUPAC name of 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one (CID 68561888) is 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one.
What is the SMILES notation for 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one?
The canonical SMILES for 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one is CN1N=NC2C(=O)n3c(cc4ccccc43)C21.
What is the InChIKey of 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one?
The InChIKey is HQPKRIBMBKRNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-15-11-9-6-7-4-2-3-5-8(7)16(9)12(17)10(11)13-14-15/h2-6,10-11H,1H3.
What are the key properties of 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one?
11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one has a molecular weight of 226.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-1,11,12,13-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6,8,12-pentaen-15-one is sourced from PubChem (CID 68561888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).