1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one

C15H13N5O — CID 46890311

IUPAC1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one
SMILESO=C(CCc1nnnn1-c1cccnc1)c1ccccc1
InChIInChI=1S/C15H13N5O/c21-14(12-5-2-1-3-6-12)8-9-15-17-18-19-20(15)13-7-4-10-16-11-13/h1-7,10-11H,8-9H2
InChIKeyPTQIMIXGMOKMMG-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.87
Rot. Bonds5

About 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one

1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one (PubChem CID 46890311) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one
PubChem CID46890311
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one
SMILESO=C(CCc1nnnn1-c1cccnc1)c1ccccc1
InChIInChI=1S/C15H13N5O/c21-14(12-5-2-1-3-6-12)8-9-15-17-18-19-20(15)13-7-4-10-16-11-13/h1-7,10-11H,8-9H2
InChIKeyPTQIMIXGMOKMMG-UHFFFAOYSA-N
XLogP1.87
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one (CID 46890311) is 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one is O=C(CCc1nnnn1-c1cccnc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one?
The InChIKey is PTQIMIXGMOKMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-14(12-5-2-1-3-6-12)8-9-15-17-18-19-20(15)13-7-4-10-16-11-13/h1-7,10-11H,8-9H2.
What are the key properties of 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one?
1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one has a molecular weight of 279.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-pyridin-3-yltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 46890311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).