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

C15H13N5O — CID 46890516

IUPAC1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one
SMILESO=C(CCn1nnnc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C15H13N5O/c21-14(12-5-2-1-3-6-12)8-10-20-15(17-18-19-20)13-7-4-9-16-11-13/h1-7,9,11H,8,10H2
InChIKeyURQHXTUKUDRVAO-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.01
Rot. Bonds5

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

1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one (PubChem CID 46890516) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one
PubChem CID46890516
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one
SMILESO=C(CCn1nnnc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C15H13N5O/c21-14(12-5-2-1-3-6-12)8-10-20-15(17-18-19-20)13-7-4-9-16-11-13/h1-7,9,11H,8,10H2
InChIKeyURQHXTUKUDRVAO-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971024
1-Phenyl-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 648322
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](phenyl)methanone
CID 3613559
7-Phenyl-1-(2-(pyridin-2-yl)-2H-tetrazol-5-yl)-heptan-1-one
CID 24948914
2-Phenyl[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 44549510
2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}-1-phenylethanone
CID 2133315
2-[(4-ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]-1-phenylethanone
CID 2139589
1-(4-Fluoro-phenyl)-4-(5-pyridin-3-yl-tetrazol-2-yl)-butan-1-one
CID 644806
1-(phenylacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 971620

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one (CID 46890516) is 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one is O=C(CCn1nnnc1-c1cccnc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one?
The InChIKey is URQHXTUKUDRVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-14(12-5-2-1-3-6-12)8-10-20-15(17-18-19-20)13-7-4-9-16-11-13/h1-7,9,11H,8,10H2.
What are the key properties of 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one?
1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(5-pyridin-3-yltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 46890516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).