9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene

C7H6N4 — CID 126658836

IUPAC9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
SMILESCc1nc2n(n1)C=CN=C=C2
InChIInChI=1S/C7H6N4/c1-6-9-7-2-3-8-4-5-11(7)10-6/h2,4-5H,1H3
InChIKeyPHNIXKGAZHGEAO-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.71
Rot. Bonds

About 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene

9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene (PubChem CID 126658836) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene.

Molecular Properties

Compound Name9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
PubChem CID126658836
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
SMILESCc1nc2n(n1)C=CN=C=C2
InChIInChI=1S/C7H6N4/c1-6-9-7-2-3-8-4-5-11(7)10-6/h2,4-5H,1H3
InChIKeyPHNIXKGAZHGEAO-UHFFFAOYSA-N
XLogP0.71
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene?
The IUPAC name of 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene (CID 126658836) is 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene.
What is the SMILES notation for 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene?
The canonical SMILES for 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene is Cc1nc2n(n1)C=CN=C=C2.
What is the InChIKey of 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene?
The InChIKey is PHNIXKGAZHGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-6-9-7-2-3-8-4-5-11(7)10-6/h2,4-5H,1H3.
What are the key properties of 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene?
9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene has a molecular weight of 146.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,4,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene is sourced from PubChem (CID 126658836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).