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

C12H17N5 — CID 12671199

IUPAC7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CC(C)C
InChIInChI=1S/C12H17N5/c1-8(2)6-16-5-4-10-9(3)15-12-13-7-14-17(12)11(10)16/h7-8H,4-6H2,1-3H3
InChIKeyNIQUTHKRJVUCBO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.45
Rot. Bonds2

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

7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12671199) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12671199
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2CC(C)C
InChIInChI=1S/C12H17N5/c1-8(2)6-16-5-4-10-9(3)15-12-13-7-14-17(12)11(10)16/h7-8H,4-6H2,1-3H3
InChIKeyNIQUTHKRJVUCBO-UHFFFAOYSA-N
XLogP1.45
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylpropyl)-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-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12671199) is 7-methyl-3-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2ncnn2c2c1CCN2CC(C)C.
What is the InChIKey of 7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is NIQUTHKRJVUCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8(2)6-16-5-4-10-9(3)15-12-13-7-14-17(12)11(10)16/h7-8H,4-6H2,1-3H3.
What are the key properties of 7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-methyl-3-(2-methylpropyl)-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 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylpropyl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 12671199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).