ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen

C14H29N3 — CID 143592930

IUPACethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen
SMILESCC.CC.CN1CCN2C=CC3CCN=C1C32.[H][H]
InChIInChI=1S/C10H15N3.2C2H6.H2/c1-12-6-7-13-5-3-8-2-4-11-10(12)9(8)13;2*1-2;/h3,5,8-9H,2,4,6-7H2,1H3;2*1-2H3;1H
InChIKeyLWPHBYQOSWCTLQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.85
Rot. Bonds

About ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen

ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen (PubChem CID 143592930) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen.

Molecular Properties

Compound Nameethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen
PubChem CID143592930
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Nameethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen
SMILESCC.CC.CN1CCN2C=CC3CCN=C1C32.[H][H]
InChIInChI=1S/C10H15N3.2C2H6.H2/c1-12-6-7-13-5-3-8-2-4-11-10(12)9(8)13;2*1-2;/h3,5,8-9H,2,4,6-7H2,1H3;2*1-2H3;1H
InChIKeyLWPHBYQOSWCTLQ-UHFFFAOYSA-N
XLogP2.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen 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 ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen?
The IUPAC name of ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen (CID 143592930) is ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen.
What is the SMILES notation for ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen?
The canonical SMILES for ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen is CC.CC.CN1CCN2C=CC3CCN=C1C32.[H][H].
What is the InChIKey of ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen?
The InChIKey is LWPHBYQOSWCTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.2C2H6.H2/c1-12-6-7-13-5-3-8-2-4-11-10(12)9(8)13;2*1-2;/h3,5,8-9H,2,4,6-7H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen?
ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen has a molecular weight of 239.41 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-1,7,9-triazatricyclo[6.3.1.04,12]dodeca-2,7-diene;molecular hydrogen is sourced from PubChem (CID 143592930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).