10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene

C10H7N7 — CID 12933159

IUPAC10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESCc1nnc2c3nnnn3c3ccccc3n12
InChIInChI=1S/C10H7N7/c1-6-11-12-9-10-13-14-15-17(10)8-5-3-2-4-7(8)16(6)9/h2-5H,1H3
InChIKeyVYUIZMFBSSPOLP-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.63
Rot. Bonds

About 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene

10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (PubChem CID 12933159) has the molecular formula C10H7N7 and a molecular weight of 225.22 g/mol. Its IUPAC name is 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.

Molecular Properties

Compound Name10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
PubChem CID12933159
Molecular FormulaC10H7N7
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
SMILESCc1nnc2c3nnnn3c3ccccc3n12
InChIInChI=1S/C10H7N7/c1-6-11-12-9-10-13-14-15-17(10)8-5-3-2-4-7(8)16(6)9/h2-5H,1H3
InChIKeyVYUIZMFBSSPOLP-UHFFFAOYSA-N
XLogP0.63
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The IUPAC name of 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene (CID 12933159) is 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene.
What is the SMILES notation for 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The canonical SMILES for 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is Cc1nnc2c3nnnn3c3ccccc3n12.
What is the InChIKey of 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
The InChIKey is VYUIZMFBSSPOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N7/c1-6-11-12-9-10-13-14-15-17(10)8-5-3-2-4-7(8)16(6)9/h2-5H,1H3.
What are the key properties of 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene?
10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene has a molecular weight of 225.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,3,4,5,8,9,11-heptazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene is sourced from PubChem (CID 12933159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).