3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene

C18H25N3 — CID 15507128

IUPAC3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
SMILESc1ccc2c3ccc(c2c1)CNCCCNCCCNC3
InChIInChI=1S/C18H25N3/c1-2-6-18-16-8-7-15(17(18)5-1)13-20-11-3-9-19-10-4-12-21-14-16/h1-2,5-8,19-21H,3-4,9-14H2
InChIKeyGZKYVJWDBMMLAL-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.40
Rot. Bonds

About 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene

3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene (PubChem CID 15507128) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene.

Molecular Properties

Compound Name3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
PubChem CID15507128
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
SMILESc1ccc2c3ccc(c2c1)CNCCCNCCCNC3
InChIInChI=1S/C18H25N3/c1-2-6-18-16-8-7-15(17(18)5-1)13-20-11-3-9-19-10-4-12-21-14-16/h1-2,5-8,19-21H,3-4,9-14H2
InChIKeyGZKYVJWDBMMLAL-UHFFFAOYSA-N
XLogP2.40
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene?
The IUPAC name of 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene (CID 15507128) is 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene.
What is the SMILES notation for 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene?
The canonical SMILES for 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene is c1ccc2c3ccc(c2c1)CNCCCNCCCNC3.
What is the InChIKey of 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene?
The InChIKey is GZKYVJWDBMMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-6-18-16-8-7-15(17(18)5-1)13-20-11-3-9-19-10-4-12-21-14-16/h1-2,5-8,19-21H,3-4,9-14H2.
What are the key properties of 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene?
3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene has a molecular weight of 283.42 g/mol, XLogP of 2.40, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene is sourced from PubChem (CID 15507128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).