4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine

C8H10N6 — CID 70303180

IUPAC4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine
SMILESCN1Cc2cnc3nnc(N)n3c2C1
InChIInChI=1S/C8H10N6/c1-13-3-5-2-10-8-12-11-7(9)14(8)6(5)4-13/h2H,3-4H2,1H3,(H2,9,11)
InChIKeyQIKWWCPXYIQVHP-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.35
Rot. Bonds

About 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine

4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine (PubChem CID 70303180) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine.

Molecular Properties

Compound Name4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine
PubChem CID70303180
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine
SMILESCN1Cc2cnc3nnc(N)n3c2C1
InChIInChI=1S/C8H10N6/c1-13-3-5-2-10-8-12-11-7(9)14(8)6(5)4-13/h2H,3-4H2,1H3,(H2,9,11)
InChIKeyQIKWWCPXYIQVHP-UHFFFAOYSA-N
XLogP-0.35
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine?
The IUPAC name of 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine (CID 70303180) is 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine.
What is the SMILES notation for 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine?
The canonical SMILES for 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine is CN1Cc2cnc3nnc(N)n3c2C1.
What is the InChIKey of 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine?
The InChIKey is QIKWWCPXYIQVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-13-3-5-2-10-8-12-11-7(9)14(8)6(5)4-13/h2H,3-4H2,1H3,(H2,9,11).
What are the key properties of 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine?
4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine has a molecular weight of 190.21 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-12-amine is sourced from PubChem (CID 70303180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).