3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate

C16H14N5O- — CID 2166727

IUPAC3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate
SMILES[O-]C(CC(c1ccccc1)c1ccccc1)=Nc1nn[nH]n1
InChIInChI=1S/C16H15N5O/c22-15(17-16-18-20-21-19-16)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,18,19,20,21,22)/p-1
InChIKeyYCVQVTALQCFVCU-UHFFFAOYSA-M
MW292.32 g/mol
LogP1.81
Rot. Bonds5

About 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate

3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate (PubChem CID 2166727) has the molecular formula C16H14N5O- and a molecular weight of 292.32 g/mol. Its IUPAC name is 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate.

Molecular Properties

Compound Name3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate
PubChem CID2166727
Molecular FormulaC16H14N5O-
Molecular Weight292.32 g/mol
Exact Mass292.12
IUPAC Name3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate
SMILES[O-]C(CC(c1ccccc1)c1ccccc1)=Nc1nn[nH]n1
InChIInChI=1S/C16H15N5O/c22-15(17-16-18-20-21-19-16)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,18,19,20,21,22)/p-1
InChIKeyYCVQVTALQCFVCU-UHFFFAOYSA-M
XLogP1.81
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate?
The IUPAC name of 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate (CID 2166727) is 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate.
What is the SMILES notation for 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate?
The canonical SMILES for 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate is [O-]C(CC(c1ccccc1)c1ccccc1)=Nc1nn[nH]n1.
What is the InChIKey of 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate?
The InChIKey is YCVQVTALQCFVCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15N5O/c22-15(17-16-18-20-21-19-16)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H2,17,18,19,20,21,22)/p-1.
What are the key properties of 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate?
3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate has a molecular weight of 292.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-(2H-tetrazol-5-yl)propanimidate is sourced from PubChem (CID 2166727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).