5-pyren-1-yl-2H-tetrazole

C17H10N4 — CID 169409474

IUPAC5-pyren-1-yl-2H-tetrazole
SMILESc1cc2ccc3ccc(-c4nn[nH]n4)c4ccc(c1)c2c34
InChIInChI=1S/C17H10N4/c1-2-10-4-5-12-7-9-14(17-18-20-21-19-17)13-8-6-11(3-1)15(10)16(12)13/h1-9H,(H,18,19,20,21)
InChIKeyJFSRRBYLDQIFLK-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.76
Rot. Bonds1

About 5-pyren-1-yl-2H-tetrazole

5-pyren-1-yl-2H-tetrazole (PubChem CID 169409474) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-pyren-1-yl-2H-tetrazole.

Molecular Properties

Compound Name5-pyren-1-yl-2H-tetrazole
PubChem CID169409474
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name5-pyren-1-yl-2H-tetrazole
SMILESc1cc2ccc3ccc(-c4nn[nH]n4)c4ccc(c1)c2c34
InChIInChI=1S/C17H10N4/c1-2-10-4-5-12-7-9-14(17-18-20-21-19-17)13-8-6-11(3-1)15(10)16(12)13/h1-9H,(H,18,19,20,21)
InChIKeyJFSRRBYLDQIFLK-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,8-di(pyren-1-yl)pyrene
CID 58915622
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
3-pyren-1-yl-2H-azirine
CID 122207976
2-(4-benzo[h]quinolin-2-ylphenyl)-9-pyren-1-yl-1,10-phenanthroline
CID 134167553
5-(10-phenylanthracen-9-yl)-2-pyren-1-ylpyrimidine
CID 88869052
1-pyren-4-ylpyrene
CID 71343129
6-pyren-1-yl-1H-1,3,5-triazine-2,4-dione
CID 88891773
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
1-(2,5-dimethyl-4-pyren-1-ylphenyl)pyrene;phosphane
CID 160688990
5-pyren-1-yl-2-(5-pyren-1-yl-2-pyridinyl)pyridine
CID 102448459
3-pyren-1-ylpyridine
CID 58924967
2,4-di(piperazin-1-yl)-6-pyren-1-yl-1,3,5-triazine
CID 122230590

Frequently Asked Questions

What is the IUPAC name of 5-pyren-1-yl-2H-tetrazole?
The IUPAC name of 5-pyren-1-yl-2H-tetrazole (CID 169409474) is 5-pyren-1-yl-2H-tetrazole.
What is the SMILES notation for 5-pyren-1-yl-2H-tetrazole?
The canonical SMILES for 5-pyren-1-yl-2H-tetrazole is c1cc2ccc3ccc(-c4nn[nH]n4)c4ccc(c1)c2c34.
What is the InChIKey of 5-pyren-1-yl-2H-tetrazole?
The InChIKey is JFSRRBYLDQIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c1-2-10-4-5-12-7-9-14(17-18-20-21-19-17)13-8-6-11(3-1)15(10)16(12)13/h1-9H,(H,18,19,20,21).
What are the key properties of 5-pyren-1-yl-2H-tetrazole?
5-pyren-1-yl-2H-tetrazole has a molecular weight of 270.30 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyren-1-yl-2H-tetrazole is sourced from PubChem (CID 169409474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).