calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

C6H14CaN4 — CID 173435639

IUPACcalcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H12N4.Ca.2H/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h1-6H2;;;/q;+2;2*-1
InChIKeyXXKIWJMCBMLPAA-UHFFFAOYSA-N
MW182.28 g/mol
LogP-1.18
Rot. Bonds

About calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (PubChem CID 173435639) has the molecular formula C6H14CaN4 and a molecular weight of 182.28 g/mol. Its IUPAC name is calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Namecalcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
PubChem CID173435639
Molecular FormulaC6H14CaN4
Molecular Weight182.28 g/mol
Exact Mass182.08
IUPAC Namecalcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
SMILESC1N2CN3CN1CN(C2)C3.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H12N4.Ca.2H/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h1-6H2;;;/q;+2;2*-1
InChIKeyXXKIWJMCBMLPAA-UHFFFAOYSA-N
XLogP-1.18
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane 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 calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The IUPAC name of calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane (CID 173435639) is calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is C1N2CN3CN1CN(C2)C3.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
The InChIKey is XXKIWJMCBMLPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.Ca.2H/c1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h1-6H2;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane?
calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane has a molecular weight of 182.28 g/mol, XLogP of -1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 173435639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).