4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine

C11H15N3 — CID 3709175

IUPAC4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
SMILESCN1CCc2c1nc1c(c2N)CCC1
InChIInChI=1S/C11H15N3/c1-14-6-5-8-10(12)7-3-2-4-9(7)13-11(8)14/h2-6H2,1H3,(H2,12,13)
InChIKeyBFEKPCAYEKKFIZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.14
Rot. Bonds

About 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine

4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine (PubChem CID 3709175) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine.

Molecular Properties

Compound Name4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
PubChem CID3709175
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine
SMILESCN1CCc2c1nc1c(c2N)CCC1
InChIInChI=1S/C11H15N3/c1-14-6-5-8-10(12)7-3-2-4-9(7)13-11(8)14/h2-6H2,1H3,(H2,12,13)
InChIKeyBFEKPCAYEKKFIZ-UHFFFAOYSA-N
XLogP1.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The IUPAC name of 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine (CID 3709175) is 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine.
What is the SMILES notation for 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The canonical SMILES for 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine is CN1CCc2c1nc1c(c2N)CCC1.
What is the InChIKey of 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
The InChIKey is BFEKPCAYEKKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14-6-5-8-10(12)7-3-2-4-9(7)13-11(8)14/h2-6H2,1H3,(H2,12,13).
What are the key properties of 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine?
4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine has a molecular weight of 189.26 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-amine is sourced from PubChem (CID 3709175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).