1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone

C15H13N5O — CID 82370009

IUPAC1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2nnc(-c3ccncc3)c2N)cc1
InChIInChI=1S/C15H13N5O/c1-10(21)11-2-4-13(5-3-11)20-15(16)14(18-19-20)12-6-8-17-9-7-12/h2-9H,16H2,1H3
InChIKeyHPMPOCNNKXVAQK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.11
Rot. Bonds3

About 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone

1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone (PubChem CID 82370009) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone
PubChem CID82370009
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2nnc(-c3ccncc3)c2N)cc1
InChIInChI=1S/C15H13N5O/c1-10(21)11-2-4-13(5-3-11)20-15(16)14(18-19-20)12-6-8-17-9-7-12/h2-9H,16H2,1H3
InChIKeyHPMPOCNNKXVAQK-UHFFFAOYSA-N
XLogP2.11
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
1-[3-[5-amino-4-(4-fluorophenyl)triazol-1-yl]phenyl]ethanone
CID 82370547
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
3-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370185
3-(4-fluorophenyl)-5-phenyltriazol-4-amine
CID 82370208
2-(5-amino-4-pyridin-4-yltriazol-1-yl)-4-chlorophenol
CID 82370639
N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride
CID 23622400
3-(4-ethoxyphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 7185254
1-[4-[4-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethynyl]triazol-1-yl]phenyl]ethanone
CID 16680232
3-(2-methoxy-5-methylphenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370825
3-(4-methoxyphenyl)-5-pyridin-3-yltriazol-4-amine
CID 82370111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone (CID 82370009) is 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone is CC(=O)c1ccc(-n2nnc(-c3ccncc3)c2N)cc1.
What is the InChIKey of 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone?
The InChIKey is HPMPOCNNKXVAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10(21)11-2-4-13(5-3-11)20-15(16)14(18-19-20)12-6-8-17-9-7-12/h2-9H,16H2,1H3.
What are the key properties of 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone?
1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone has a molecular weight of 279.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 82370009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).