N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine

C15H20N8 — CID 6419129

IUPACN"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine
SMILESNC(N)N/N=C1/C/C(=N\NC(N)N)c2cc3ccccc3cc21
InChIInChI=1S/C15H20N8/c16-14(17)22-20-12-7-13(21-23-15(18)19)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-6,14-15,22-23H,7,16-19H2/b20-12-,21-13+
InChIKeyVKAIHVUEHVSZES-AYRZQKSOSA-N
MW312.38 g/mol
LogP-0.77
Rot. Bonds4

About N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine

N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine (PubChem CID 6419129) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine.

Molecular Properties

Compound NameN"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine
PubChem CID6419129
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC NameN"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine
SMILESNC(N)N/N=C1/C/C(=N\NC(N)N)c2cc3ccccc3cc21
InChIInChI=1S/C15H20N8/c16-14(17)22-20-12-7-13(21-23-15(18)19)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-6,14-15,22-23H,7,16-19H2/b20-12-,21-13+
InChIKeyVKAIHVUEHVSZES-AYRZQKSOSA-N
XLogP-0.77
TPSA152.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine?
The IUPAC name of N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine (CID 6419129) is N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine.
What is the SMILES notation for N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine?
The canonical SMILES for N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine is NC(N)N/N=C1/C/C(=N\NC(N)N)c2cc3ccccc3cc21.
What is the InChIKey of N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine?
The InChIKey is VKAIHVUEHVSZES-AYRZQKSOSA-N. The full InChI is InChI=1S/C15H20N8/c16-14(17)22-20-12-7-13(21-23-15(18)19)11-6-9-4-2-1-3-8(9)5-10(11)12/h1-6,14-15,22-23H,7,16-19H2/b20-12-,21-13+.
What are the key properties of N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine?
N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine has a molecular weight of 312.38 g/mol, XLogP of -0.77, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N"-[(Z)-[(3E)-3-(diaminomethylhydrazinylidene)cyclopenta[b]naphthalen-1-ylidene]amino]methanetriamine is sourced from PubChem (CID 6419129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).