(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene

C16H12N4 — CID 5377570

IUPAC(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESC1=C\N=c2/cccc/c2=N\C=C/N=c2\cccc\c2=N/1
InChIInChI=1S/C16H12N4/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18-14/h1-12H/b10-9-,12-11-,17-9+,17-13+,18-11+,18-14+,19-10+,19-15+,20-12+,20-16+
InChIKeyACRVZUOZTCXDOP-LXXYPHJYSA-N
MW260.30 g/mol
LogP0.82
Rot. Bonds

About (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene

(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 5377570) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID5377570
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESC1=C\N=c2/cccc/c2=N\C=C/N=c2\cccc\c2=N/1
InChIInChI=1S/C16H12N4/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18-14/h1-12H/b10-9-,12-11-,17-9+,17-13+,18-11+,18-14+,19-10+,19-15+,20-12+,20-16+
InChIKeyACRVZUOZTCXDOP-LXXYPHJYSA-N
XLogP0.82
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 5377570) is (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene is C1=C\N=c2/cccc/c2=N\C=C/N=c2\cccc\c2=N/1.
What is the InChIKey of (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is ACRVZUOZTCXDOP-LXXYPHJYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-6-14-13(5-1)17-9-10-19-15-7-3-4-8-16(15)20-12-11-18-14/h1-12H/b10-9-,12-11-,17-9+,17-13+,18-11+,18-14+,19-10+,19-15+,20-12+,20-16+.
What are the key properties of (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 260.30 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 5377570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).