24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene

C20H22N6+2 — CID 101131168

IUPAC24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene
SMILESCn1c2ccc1Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)C2
InChIInChI=1S/C20H22N6/c1-22-19-5-6-20(22)14-26-10-8-24(16-26)12-18-4-2-3-17(21-18)11-23-7-9-25(13-19)15-23/h2-10,15-16H,11-14H2,1H3/q+2
InChIKeyNRFLNZYUNODHJF-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.10
Rot. Bonds

About 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene

24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene (PubChem CID 101131168) has the molecular formula C20H22N6+2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene.

Molecular Properties

Compound Name24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene
PubChem CID101131168
Molecular FormulaC20H22N6+2
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene
SMILESCn1c2ccc1Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)C2
InChIInChI=1S/C20H22N6/c1-22-19-5-6-20(22)14-26-10-8-24(16-26)12-18-4-2-3-17(21-18)11-23-7-9-25(13-19)15-23/h2-10,15-16H,11-14H2,1H3/q+2
InChIKeyNRFLNZYUNODHJF-UHFFFAOYSA-N
XLogP1.10
TPSA35.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene with MolForge

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Related Compounds

3,17,23-triaza-6,14-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),4,6(26),8(25),9,11,14(24),15,19,21-decaene
CID 101205744
6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene
CID 15194038
6,9,10,13,24-pentaza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),3(25),4,8,11(24),14,16(23),18(22),19-nonaene
CID 101049409
3,16-diaza-6,13-diazoniaheptacyclo[16.6.6.28,11.13,6.113,16.019,24.025,30]tetratriaconta-1(25),4,6(34),8(33),9,11(32),13(31),14,18(30),19,21,23,26,28-tetradecaene
CID 102025049
25-bromo-6,14-diaza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene
CID 59164051
10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
CID 167345618
methanol;6,15,23,32-tetraza-1,3,18,20-tetrazoniaheptacyclo[30.2.1.13,6.115,18.120,23.08,13.025,30]octatriaconta-1(35),3(38),4,8,10,12,16,18(37),20(36),21,25,27,29,33-tetradecaene;tetrabromide
CID 139159302
6,11-diaza-3,14-diazoniatetracyclo[14.2.2.13,6.111,14]docosa-1(18),3(22),4,12,14(21),16,19-heptaene
CID 15195906
bis(acetonitrile);6,15,23,32-tetraza-1,3,18,20-tetrazoniaheptacyclo[30.2.1.13,6.115,18.120,23.08,13.025,30]octatriaconta-1(35),3(38),4,8,10,12,16,18(37),20(36),21,25,27,29,33-tetradecaene;tetrahexafluorophosphate
CID 139159303
16,24,32,34-tetraza-1,9-diazoniaheptacyclo[22.6.1.13,7.19,16.118,22.010,15.025,30]tetratriaconta-1(31),3(34),4,6,9(33),10,12,14,18,20,22(32),25,27,29-tetradecaene dibromide
CID 11692917
38-methoxy-33-aza-5,13,20,28-tetrazoniaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene tetrahexafluorophosphate
CID 10653819
cadmium(2+);3,12-dimethyl-6,9-dioxa-3,12,18-triazabicyclo[12.3.1]octadeca-1(18),14,16-triene
CID 139245965

Frequently Asked Questions

What is the IUPAC name of 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene?
The IUPAC name of 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene (CID 101131168) is 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene.
What is the SMILES notation for 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene?
The canonical SMILES for 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene is Cn1c2ccc1Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)C2.
What is the InChIKey of 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene?
The InChIKey is NRFLNZYUNODHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-22-19-5-6-20(22)14-26-10-8-24(16-26)12-18-4-2-3-17(21-18)11-23-7-9-25(13-19)15-23/h2-10,15-16H,11-14H2,1H3/q+2.
What are the key properties of 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene?
24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene has a molecular weight of 346.44 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-6,13,22,24-tetraza-3,16-diazoniapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(22),3(25),4,8,10,14,16(23),18,20-nonaene is sourced from PubChem (CID 101131168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).