3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene

C18H33N5 — CID 165352114

IUPAC3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene
SMILESc1cc2cc(c1)CNCCCNCCNCCNCCCNC2
InChIInChI=1S/C18H33N5/c1-4-17-14-18(5-1)16-23-9-3-7-20-11-13-21-12-10-19-6-2-8-22-15-17/h1,4-5,14,19-23H,2-3,6-13,15-16H2
InChIKeyHCRSUFMTYNFZCM-UHFFFAOYSA-N
MW319.50 g/mol
LogP0.43
Rot. Bonds

About 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene

3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene (PubChem CID 165352114) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene.

Molecular Properties

Compound Name3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene
PubChem CID165352114
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene
SMILESc1cc2cc(c1)CNCCCNCCNCCNCCCNC2
InChIInChI=1S/C18H33N5/c1-4-17-14-18(5-1)16-23-9-3-7-20-11-13-21-12-10-19-6-2-8-22-15-17/h1,4-5,14,19-23H,2-3,6-13,15-16H2
InChIKeyHCRSUFMTYNFZCM-UHFFFAOYSA-N
XLogP0.43
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 50.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10510676
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CID 10446177
3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
CID 56616203
5,8,16,19,27,38,49,54,57-nonazaheptacyclo[21.21.6.612,34.13,43.110,14.121,25.132,36]hexaconta-1,3(51),10,12,14(60),21,23,25(59),32(52),33,35,43-dodecaene
CID 158578593
2,5,9,12,18,21,25,28-octazatricyclo[27.3.1.113,17]tetratriaconta-1(33),13(34),14,16,29,31-hexaene
CID 101443368
2,6,9,13,19,23,26,30-octazatricyclo[29.3.1.114,18]hexatriaconta-1(35),14(36),15,17,31,33-hexaene
CID 101443367
carbonic acid;bis(copper(1+));1,4,12,15,18,26,31,39-octazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20,22,24(43),33(42),34,36-nonaene
CID 6394272
1,4,8,12-tetrazacyclopentadecane;1,4,8,11-tetrazacyclotetradecane;1,4,7,10-tetrazacyclotridecane
CID 23302195
1,4,7,10-tetrazacyclotridecane
CID 11478723
1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
CID 159801771
3,7,11-triazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene
CID 15507128
11,26,32,39-tetraza-1,8,15,23-tetrazoniapentacyclo[21.6.6.68,15.23,6.117,21]tetratetraconta-3(44),4,6(43),17,19,21(36)-hexaene tetrabromide
CID 10887527

Frequently Asked Questions

What is the IUPAC name of 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene?
The IUPAC name of 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene (CID 165352114) is 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene.
What is the SMILES notation for 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene?
The canonical SMILES for 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene is c1cc2cc(c1)CNCCCNCCNCCNCCCNC2.
What is the InChIKey of 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene?
The InChIKey is HCRSUFMTYNFZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-4-17-14-18(5-1)16-23-9-3-7-20-11-13-21-12-10-19-6-2-8-22-15-17/h1,4-5,14,19-23H,2-3,6-13,15-16H2.
What are the key properties of 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene?
3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene has a molecular weight of 319.50 g/mol, XLogP of 0.43, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10,13,17-pentazabicyclo[17.3.1]tricosa-1(23),19,21-triene is sourced from PubChem (CID 165352114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).