7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene

C16H26N4 — CID 175873208

IUPAC7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene
SMILESC1=C2N=C(C1)CNCCCCCCNCC1CCC2=N1
InChIInChI=1S/C16H26N4/c1-2-4-10-18-12-14-6-8-16(20-14)15-7-5-13(19-15)11-17-9-3-1/h7,14,17-18H,1-6,8-12H2
InChIKeyYVSSDEDEAKYIFZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.07
Rot. Bonds

About 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene

7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene (PubChem CID 175873208) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene.

Molecular Properties

Compound Name7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene
PubChem CID175873208
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene
SMILESC1=C2N=C(C1)CNCCCCCCNCC1CCC2=N1
InChIInChI=1S/C16H26N4/c1-2-4-10-18-12-14-6-8-16(20-14)15-7-5-13(19-15)11-17-9-3-1/h7,14,17-18H,1-6,8-12H2
InChIKeyYVSSDEDEAKYIFZ-UHFFFAOYSA-N
XLogP2.07
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene?
The IUPAC name of 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene (CID 175873208) is 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene.
What is the SMILES notation for 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene?
The canonical SMILES for 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene is C1=C2N=C(C1)CNCCCCCCNCC1CCC2=N1.
What is the InChIKey of 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene?
The InChIKey is YVSSDEDEAKYIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-2-4-10-18-12-14-6-8-16(20-14)15-7-5-13(19-15)11-17-9-3-1/h7,14,17-18H,1-6,8-12H2.
What are the key properties of 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene?
7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene has a molecular weight of 274.41 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14,19,20-tetrazatricyclo[14.2.1.12,5]icosa-1(19),2,5(20)-triene is sourced from PubChem (CID 175873208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).