4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene

C10H13N5 — CID 59225993

IUPAC4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
SMILESCC(C)N1Cc2nn3cncnc3c2C1
InChIInChI=1S/C10H13N5/c1-7(2)14-3-8-9(4-14)13-15-6-11-5-12-10(8)15/h5-7H,3-4H2,1-2H3
InChIKeyZVXVYGLIEISPPL-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.85
Rot. Bonds1

About 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene

4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene (PubChem CID 59225993) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene.

Molecular Properties

Compound Name4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
PubChem CID59225993
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene
SMILESCC(C)N1Cc2nn3cncnc3c2C1
InChIInChI=1S/C10H13N5/c1-7(2)14-3-8-9(4-14)13-15-6-11-5-12-10(8)15/h5-7H,3-4H2,1-2H3
InChIKeyZVXVYGLIEISPPL-UHFFFAOYSA-N
XLogP0.85
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
The IUPAC name of 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene (CID 59225993) is 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene.
What is the SMILES notation for 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
The canonical SMILES for 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene is CC(C)N1Cc2nn3cncnc3c2C1.
What is the InChIKey of 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
The InChIKey is ZVXVYGLIEISPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-7(2)14-3-8-9(4-14)13-15-6-11-5-12-10(8)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene?
4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene has a molecular weight of 203.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-4,7,8,10,12-pentazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraene is sourced from PubChem (CID 59225993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).