4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C12H17N5 — CID 12671190

IUPAC4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CC(C)N2C(C)C
InChIInChI=1S/C12H17N5/c1-7(2)16-8(3)5-10-9(4)15-12-13-6-14-17(12)11(10)16/h6-8H,5H2,1-4H3
InChIKeyZIWDYTAGXMPPRA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.59
Rot. Bonds1

About 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12671190) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12671190
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CC(C)N2C(C)C
InChIInChI=1S/C12H17N5/c1-7(2)16-8(3)5-10-9(4)15-12-13-6-14-17(12)11(10)16/h6-8H,5H2,1-4H3
InChIKeyZIWDYTAGXMPPRA-UHFFFAOYSA-N
XLogP1.59
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12671190) is 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2ncnn2c2c1CC(C)N2C(C)C.
What is the InChIKey of 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is ZIWDYTAGXMPPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-7(2)16-8(3)5-10-9(4)15-12-13-6-14-17(12)11(10)16/h6-8H,5H2,1-4H3.
What are the key properties of 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 231.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-propan-2-yl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 12671190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).