4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene

C13H22N4 — CID 136838955

IUPAC4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
SMILESCC(C)Cc1cc2n(n1)C1CCNCC1CN2
InChIInChI=1S/C13H22N4/c1-9(2)5-11-6-13-15-8-10-7-14-4-3-12(10)17(13)16-11/h6,9-10,12,14-15H,3-5,7-8H2,1-2H3
InChIKeyMOUINDHRRRPCFR-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.66
Rot. Bonds2

About 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene

4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene (PubChem CID 136838955) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene.

Molecular Properties

Compound Name4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
PubChem CID136838955
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
SMILESCC(C)Cc1cc2n(n1)C1CCNCC1CN2
InChIInChI=1S/C13H22N4/c1-9(2)5-11-6-13-15-8-10-7-14-4-3-12(10)17(13)16-11/h6,9-10,12,14-15H,3-5,7-8H2,1-2H3
InChIKeyMOUINDHRRRPCFR-UHFFFAOYSA-N
XLogP1.66
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene with MolForge

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

Launch Full Analysis

Related Compounds

7-cyclopentyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838968
4-tert-butyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136839393
4-heptan-3-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136838287
7-piperidin-3-yl-2-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838503
2-(2,2-dimethylpropyl)-7-piperidin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841078
2-(2-methylpropyl)-7-(2-methylpyrazol-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136847640
6-methyl-2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838911
3-[2-(2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]aniline
CID 136838919
4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136840128
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838885
7-piperidin-3-yl-2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837454
2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline
CID 136838350

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene?
The IUPAC name of 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene (CID 136838955) is 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene.
What is the SMILES notation for 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene?
The canonical SMILES for 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene is CC(C)Cc1cc2n(n1)C1CCNCC1CN2.
What is the InChIKey of 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene?
The InChIKey is MOUINDHRRRPCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)5-11-6-13-15-8-10-7-14-4-3-12(10)17(13)16-11/h6,9-10,12,14-15H,3-5,7-8H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene?
4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene has a molecular weight of 234.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene is sourced from PubChem (CID 136838955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).