7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C11H13N5 — CID 12671223

IUPAC7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESC=CCN1CCc2c(C)nc3ncnn3c21
InChIInChI=1S/C11H13N5/c1-3-5-15-6-4-9-8(2)14-11-12-7-13-16(11)10(9)15/h3,7H,1,4-6H2,2H3
InChIKeyDSGSZJVZYRJXKH-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.98
Rot. Bonds2

About 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12671223) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12671223
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESC=CCN1CCc2c(C)nc3ncnn3c21
InChIInChI=1S/C11H13N5/c1-3-5-15-6-4-9-8(2)14-11-12-7-13-16(11)10(9)15/h3,7H,1,4-6H2,2H3
InChIKeyDSGSZJVZYRJXKH-UHFFFAOYSA-N
XLogP0.98
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12671223) is 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is C=CCN1CCc2c(C)nc3ncnn3c21.
What is the InChIKey of 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is DSGSZJVZYRJXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-3-5-15-6-4-9-8(2)14-11-12-7-13-16(11)10(9)15/h3,7H,1,4-6H2,2H3.
What are the key properties of 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 215.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-prop-2-enyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 12671223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).