2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione

C17H14N6O2 — CID 53483400

IUPAC2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1nnnc1-c1ccccn1
InChIInChI=1S/C17H14N6O2/c24-16-12-6-1-2-7-13(12)17(25)22(16)10-5-11-23-15(19-20-21-23)14-8-3-4-9-18-14/h1-4,6-9H,5,10-11H2
InChIKeyUAVQGVVZLPAYTG-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.42
Rot. Bonds5

About 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione

2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione (PubChem CID 53483400) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione
PubChem CID53483400
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1nnnc1-c1ccccn1
InChIInChI=1S/C17H14N6O2/c24-16-12-6-1-2-7-13(12)17(25)22(16)10-5-11-23-15(19-20-21-23)14-8-3-4-9-18-14/h1-4,6-9H,5,10-11H2
InChIKeyUAVQGVVZLPAYTG-UHFFFAOYSA-N
XLogP1.42
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[3-(tetrazol-1-yl)propyl]tetrazol-5-yl]pyridine
CID 102517127
2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-[3-(4-pyrazin-2-yltriazol-1-yl)propyl]isoindole-1,3-dione
CID 167749505
6,13-bis(3-imidazol-1-ylpropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));dichloride
CID 11982787
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
2-(3-indazol-1-ylpropyl)isoindole-1,3-dione
CID 19914595
2-[3-(3,5-dibromo-1,2,4-triazol-1-yl)propyl]isoindole-1,3-dione
CID 56604598
3-[5-[(1,3-dioxoisoindol-2-yl)methyl]tetrazol-1-yl]propanenitrile
CID 10660519
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
4-(1,3-dioxoisoindol-2-yl)butyl pyridine-2-carboxylate
CID 18074643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione (CID 53483400) is 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCn1nnnc1-c1ccccn1.
What is the InChIKey of 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is UAVQGVVZLPAYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-16-12-6-1-2-7-13(12)17(25)22(16)10-5-11-23-15(19-20-21-23)14-8-3-4-9-18-14/h1-4,6-9H,5,10-11H2.
What are the key properties of 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione?
2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 334.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 53483400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).