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

C14H21N5 — CID 12671218

IUPAC7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2C(C)CC(C)C
InChIInChI=1S/C14H21N5/c1-9(2)7-10(3)18-6-5-12-11(4)17-14-15-8-16-19(14)13(12)18/h8-10H,5-7H2,1-4H3
InChIKeyHENNCVMYMJIUIS-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.23
Rot. Bonds3

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

7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 12671218) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID12671218
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2ncnn2c2c1CCN2C(C)CC(C)C
InChIInChI=1S/C14H21N5/c1-9(2)7-10(3)18-6-5-12-11(4)17-14-15-8-16-19(14)13(12)18/h8-10H,5-7H2,1-4H3
InChIKeyHENNCVMYMJIUIS-UHFFFAOYSA-N
XLogP2.23
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylpentan-2-yl)-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-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 12671218) is 7-methyl-3-(4-methylpentan-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 7-methyl-3-(4-methylpentan-2-yl)-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-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2ncnn2c2c1CCN2C(C)CC(C)C.
What is the InChIKey of 7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is HENNCVMYMJIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9(2)7-10(3)18-6-5-12-11(4)17-14-15-8-16-19(14)13(12)18/h8-10H,5-7H2,1-4H3.
What are the key properties of 7-methyl-3-(4-methylpentan-2-yl)-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
7-methyl-3-(4-methylpentan-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 259.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylpentan-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 12671218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).