1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone

C15H14N4O — CID 68898650

IUPAC1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc3nnn(C)c3c2)n1
InChIInChI=1S/C15H14N4O/c1-10-4-3-5-12(16-10)9-15(20)11-6-7-13-14(8-11)19(2)18-17-13/h3-8H,9H2,1-2H3
InChIKeyNXNZBWZYLNESLH-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone

1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 68898650) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
PubChem CID68898650
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc3nnn(C)c3c2)n1
InChIInChI=1S/C15H14N4O/c1-10-4-3-5-12(16-10)9-15(20)11-6-7-13-14(8-11)19(2)18-17-13/h3-8H,9H2,1-2H3
InChIKeyNXNZBWZYLNESLH-UHFFFAOYSA-N
XLogP2.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
CID 59303850
CID 59303850
1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68885000
2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
CID 157202474
N,3-dimethyl-N-phenylbenzotriazole-5-carboxamide
CID 136530360
2-(6-methyl-2-pyridinyl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]ethanone
CID 58585961
CID 131847838
CID 131847838
2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
2-methyl-4-(3-methylbenzotriazol-5-yl)-5-(6-methyl-2-pyridinyl)-1,3-thiazole
CID 68883917
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
6-iodo-1-methylbenzotriazole
CID 121232021
1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
CID 116832958

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone (CID 68898650) is 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(CC(=O)c2ccc3nnn(C)c3c2)n1.
What is the InChIKey of 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is NXNZBWZYLNESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-4-3-5-12(16-10)9-15(20)11-6-7-13-14(8-11)19(2)18-17-13/h3-8H,9H2,1-2H3.
What are the key properties of 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone?
1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzotriazol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 68898650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).