3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene

C16H8N4 — CID 155812910

IUPAC3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
SMILESc1cc2c3c(cccc3c1)-c1nc3nccnc3nc1-2
InChIInChI=1S/C16H8N4/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)20-16-15(19-13)17-7-8-18-16/h1-8H
InChIKeyKQJDBTCZEINQSQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.22
Rot. Bonds

About 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene

3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene (PubChem CID 155812910) has the molecular formula C16H8N4 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene.

Molecular Properties

Compound Name3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
PubChem CID155812910
Molecular FormulaC16H8N4
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC Name3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
SMILESc1cc2c3c(cccc3c1)-c1nc3nccnc3nc1-2
InChIInChI=1S/C16H8N4/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)20-16-15(19-13)17-7-8-18-16/h1-8H
InChIKeyKQJDBTCZEINQSQ-UHFFFAOYSA-N
XLogP3.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
The IUPAC name of 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene (CID 155812910) is 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene.
What is the SMILES notation for 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
The canonical SMILES for 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene is c1cc2c3c(cccc3c1)-c1nc3nccnc3nc1-2.
What is the InChIKey of 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
The InChIKey is KQJDBTCZEINQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N4/c1-3-9-4-2-6-11-12(9)10(5-1)13-14(11)20-16-15(19-13)17-7-8-18-16/h1-8H.
What are the key properties of 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene?
3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene has a molecular weight of 256.27 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8,10-tetrazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene is sourced from PubChem (CID 155812910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).