3-(5-phenyltetrazol-2-yl)propanal

C10H10N4O — CID 63038867

IUPAC3-(5-phenyltetrazol-2-yl)propanal
SMILESO=CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c15-8-4-7-14-12-10(11-13-14)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKeyBRKWMDIZRUPULY-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.93
Rot. Bonds4

About 3-(5-phenyltetrazol-2-yl)propanal

3-(5-phenyltetrazol-2-yl)propanal (PubChem CID 63038867) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(5-phenyltetrazol-2-yl)propanal.

Molecular Properties

Compound Name3-(5-phenyltetrazol-2-yl)propanal
PubChem CID63038867
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(5-phenyltetrazol-2-yl)propanal
SMILESO=CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O/c15-8-4-7-14-12-10(11-13-14)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKeyBRKWMDIZRUPULY-UHFFFAOYSA-N
XLogP0.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyltetrazol-2-yl)propanal?
The IUPAC name of 3-(5-phenyltetrazol-2-yl)propanal (CID 63038867) is 3-(5-phenyltetrazol-2-yl)propanal.
What is the SMILES notation for 3-(5-phenyltetrazol-2-yl)propanal?
The canonical SMILES for 3-(5-phenyltetrazol-2-yl)propanal is O=CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-(5-phenyltetrazol-2-yl)propanal?
The InChIKey is BRKWMDIZRUPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-8-4-7-14-12-10(11-13-14)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2.
What are the key properties of 3-(5-phenyltetrazol-2-yl)propanal?
3-(5-phenyltetrazol-2-yl)propanal has a molecular weight of 202.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyltetrazol-2-yl)propanal is sourced from PubChem (CID 63038867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).