4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine

C12H17N3 — CID 142296041

IUPAC4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine
SMILESCC1CC=C2C=NC(C)(N)C=NC2=CC1
InChIInChI=1S/C12H17N3/c1-9-3-5-10-7-15-12(2,13)8-14-11(10)6-4-9/h5-9H,3-4,13H2,1-2H3
InChIKeyAIOHUDULOWDNPQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.06
Rot. Bonds

About 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine

4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine (PubChem CID 142296041) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine.

Molecular Properties

Compound Name4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine
PubChem CID142296041
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine
SMILESCC1CC=C2C=NC(C)(N)C=NC2=CC1
InChIInChI=1S/C12H17N3/c1-9-3-5-10-7-15-12(2,13)8-14-11(10)6-4-9/h5-9H,3-4,13H2,1-2H3
InChIKeyAIOHUDULOWDNPQ-UHFFFAOYSA-N
XLogP2.06
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine?
The IUPAC name of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine (CID 142296041) is 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine.
What is the SMILES notation for 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine?
The canonical SMILES for 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine is CC1CC=C2C=NC(C)(N)C=NC2=CC1.
What is the InChIKey of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine?
The InChIKey is AIOHUDULOWDNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-3-5-10-7-15-12(2,13)8-14-11(10)6-4-9/h5-9H,3-4,13H2,1-2H3.
What are the key properties of 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine?
4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-2,5-diazabicyclo[5.5.0]dodeca-1(12),2,5,7-tetraen-4-amine is sourced from PubChem (CID 142296041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).