anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene

C16H12N6 — CID 136600638

IUPACanthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene
SMILESc1ccc2c(C/N=N/c3nn[nH]n3)c3ccccc3cc2c1
InChIInChI=1S/C16H12N6/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)15(13)10-17-18-16-19-21-22-20-16/h1-9H,10H2,(H,19,20,21,22)/b18-17+
InChIKeyCMEHKPFCFOYPLH-ISLYRVAYSA-N
MW288.31 g/mol
LogP3.79
Rot. Bonds3

About anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene

anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene (PubChem CID 136600638) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene.

Molecular Properties

Compound Nameanthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene
PubChem CID136600638
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Nameanthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene
SMILESc1ccc2c(C/N=N/c3nn[nH]n3)c3ccccc3cc2c1
InChIInChI=1S/C16H12N6/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)15(13)10-17-18-16-19-21-22-20-16/h1-9H,10H2,(H,19,20,21,22)/b18-17+
InChIKeyCMEHKPFCFOYPLH-ISLYRVAYSA-N
XLogP3.79
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene?
The IUPAC name of anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene (CID 136600638) is anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene.
What is the SMILES notation for anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene?
The canonical SMILES for anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene is c1ccc2c(C/N=N/c3nn[nH]n3)c3ccccc3cc2c1.
What is the InChIKey of anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene?
The InChIKey is CMEHKPFCFOYPLH-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N6/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)15(13)10-17-18-16-19-21-22-20-16/h1-9H,10H2,(H,19,20,21,22)/b18-17+.
What are the key properties of anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene?
anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene has a molecular weight of 288.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl(2H-tetrazol-5-yl)diazene is sourced from PubChem (CID 136600638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).