7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid

C16H21N5O3 — CID 90674275

IUPAC7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N1CCn2c3c(c4cccc(c42)C1)CCCC3
InChIInChI=1S/C16H20N4.HNO3/c17-16(18)19-8-9-20-14-7-2-1-5-12(14)13-6-3-4-11(10-19)15(13)20;2-1(3)4/h3-4,6H,1-2,5,7-10H2,(H3,17,18);(H,2,3,4)
InChIKeyDJBOHMRZMITEOC-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.88
Rot. Bonds

About 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid

7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid (PubChem CID 90674275) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid.

Molecular Properties

Compound Name7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid
PubChem CID90674275
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N1CCn2c3c(c4cccc(c42)C1)CCCC3
InChIInChI=1S/C16H20N4.HNO3/c17-16(18)19-8-9-20-14-7-2-1-5-12(14)13-6-3-4-11(10-19)15(13)20;2-1(3)4/h3-4,6H,1-2,5,7-10H2,(H3,17,18);(H,2,3,4)
InChIKeyDJBOHMRZMITEOC-UHFFFAOYSA-N
XLogP1.88
TPSA121.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 15720676
1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene;11-nitro-1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene
CID 157089064
7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carboximidamide;nitric acid
CID 67944496
4-naphthalen-1-ylpiperazine-1-carboximidamide
CID 4741231
nitric acid;1,2,3,4-tetrahydronaphthalene
CID 21399469
1-nitro-2,3,4,5-tetrahydro-1-benzazepine
CID 54065851
1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraene;2-chlorocyclohexan-1-one;1,2,3,4-tetrahydroquinoline
CID 158856696
2-(4-nitronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 91086298
1-hydroxy-2-(4-nitronaphthalen-1-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-one
CID 91213531
benzyl 11-methyl-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraene-5-carboxylate
CID 12051610
3-nitro-1-phenyl-4,5,6,7-tetrahydroindazole
CID 139801411
3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboximidamide
CID 121202911

Frequently Asked Questions

What is the IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid?
The IUPAC name of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid (CID 90674275) is 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid.
What is the SMILES notation for 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid?
The canonical SMILES for 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N1CCn2c3c(c4cccc(c42)C1)CCCC3.
What is the InChIKey of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid?
The InChIKey is DJBOHMRZMITEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.HNO3/c17-16(18)19-8-9-20-14-7-2-1-5-12(14)13-6-3-4-11(10-19)15(13)20;2-1(3)4/h3-4,6H,1-2,5,7-10H2,(H3,17,18);(H,2,3,4).
What are the key properties of 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid?
7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid has a molecular weight of 331.38 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17),11(16)-tetraene-7-carboximidamide;nitric acid is sourced from PubChem (CID 90674275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).