3-phenyl-N-(2H-tetrazol-5-yl)propanamide

C10H11N5O — CID 887745

IUPAC3-phenyl-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nn[nH]n1
InChIInChI=1S/C10H11N5O/c16-9(11-10-12-14-15-13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14,15,16)
InChIKeyJQPUBNHMTIDUHF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.77
Rot. Bonds4

About 3-phenyl-N-(2H-tetrazol-5-yl)propanamide

3-phenyl-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 887745) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-phenyl-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(2H-tetrazol-5-yl)propanamide
PubChem CID887745
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name3-phenyl-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nn[nH]n1
InChIInChI=1S/C10H11N5O/c16-9(11-10-12-14-15-13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14,15,16)
InChIKeyJQPUBNHMTIDUHF-UHFFFAOYSA-N
XLogP0.77
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-phenyl-N-(2H-tetrazol-5-yl)propanamide (CID 887745) is 3-phenyl-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(2H-tetrazol-5-yl)propanamide is O=C(CCc1ccccc1)Nc1nn[nH]n1.
What is the InChIKey of 3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is JQPUBNHMTIDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c16-9(11-10-12-14-15-13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12,13,14,15,16).
What are the key properties of 3-phenyl-N-(2H-tetrazol-5-yl)propanamide?
3-phenyl-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 217.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 887745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).