4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine

C16H19N5 — CID 46862205

IUPAC4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine
SMILESNc1c2nc3n(c2cc2nc4n(c12)CCCC4)CCCC3
InChIInChI=1S/C16H19N5/c17-14-15-11(20-7-3-1-6-13(20)19-15)9-10-16(14)21-8-4-2-5-12(21)18-10/h9H,1-8,17H2
InChIKeySXGAGGXWFPDJBO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.64
Rot. Bonds

About 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine

4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine (PubChem CID 46862205) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine.

Molecular Properties

Compound Name4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine
PubChem CID46862205
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine
SMILESNc1c2nc3n(c2cc2nc4n(c12)CCCC4)CCCC3
InChIInChI=1S/C16H19N5/c17-14-15-11(20-7-3-1-6-13(20)19-15)9-10-16(14)21-8-4-2-5-12(21)18-10/h9H,1-8,17H2
InChIKeySXGAGGXWFPDJBO-UHFFFAOYSA-N
XLogP2.64
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 46203464
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CID 175752504
6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 165351379
7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 154700687
6-bromo-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 171064698
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
2-amino-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 134116243
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
CID 82405915
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carbaldehyde
CID 82405887
3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443
2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
CID 117307095
5-amino-2-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 120639719

Frequently Asked Questions

What is the IUPAC name of 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine?
The IUPAC name of 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine (CID 46862205) is 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine.
What is the SMILES notation for 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine?
The canonical SMILES for 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine is Nc1c2nc3n(c2cc2nc4n(c12)CCCC4)CCCC3.
What is the InChIKey of 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine?
The InChIKey is SXGAGGXWFPDJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c17-14-15-11(20-7-3-1-6-13(20)19-15)9-10-16(14)21-8-4-2-5-12(21)18-10/h9H,1-8,17H2.
What are the key properties of 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine?
4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine is sourced from PubChem (CID 46862205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).