2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride

C14H13ClN4 — CID 45480716

IUPAC2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C1/C=Cc2cccc3cccc1c23
InChIInChI=1S/C14H12N4.ClH/c15-14(16)18-17-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;/h1-8H,(H4,15,16,18);1H/b17-12-;
InChIKeyBFAJIBCPNFQAEB-HBPAQXCTSA-N
MW272.74 g/mol
LogP2.27
Rot. Bonds1

About 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride

2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride (PubChem CID 45480716) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride
PubChem CID45480716
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C1/C=Cc2cccc3cccc1c23
InChIInChI=1S/C14H12N4.ClH/c15-14(16)18-17-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;/h1-8H,(H4,15,16,18);1H/b17-12-;
InChIKeyBFAJIBCPNFQAEB-HBPAQXCTSA-N
XLogP2.27
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride (CID 45480716) is 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C1/C=Cc2cccc3cccc1c23.
What is the InChIKey of 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride?
The InChIKey is BFAJIBCPNFQAEB-HBPAQXCTSA-N. The full InChI is InChI=1S/C14H12N4.ClH/c15-14(16)18-17-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;/h1-8H,(H4,15,16,18);1H/b17-12-;.
What are the key properties of 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride?
2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 45480716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).