1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole

C14H14N4 — CID 129169740

IUPAC1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
SMILESCCc1cc(-n2nnc3ccccc32)c(C)cn1
InChIInChI=1S/C14H14N4/c1-3-11-8-14(10(2)9-15-11)18-13-7-5-4-6-12(13)16-17-18/h4-9H,3H2,1-2H3
InChIKeyYHNSEVACYWKKKH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.69
Rot. Bonds2

About 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole

1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole (PubChem CID 129169740) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
PubChem CID129169740
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole
SMILESCCc1cc(-n2nnc3ccccc32)c(C)cn1
InChIInChI=1S/C14H14N4/c1-3-11-8-14(10(2)9-15-11)18-13-7-5-4-6-12(13)16-17-18/h4-9H,3H2,1-2H3
InChIKeyYHNSEVACYWKKKH-UHFFFAOYSA-N
XLogP2.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-3-pyridinyl)benzotriazole
CID 71251424
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
1-[5-(chloromethyl)-2-methylphenyl]benzotriazole
CID 105405922
[2-(benzotriazol-1-yl)-5-methylphenyl]methanamine
CID 114016678
1-[4-(benzotriazol-1-yl)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81254005
[2-(benzotriazol-1-yl)-4-methylphenyl]phosphane
CID 170034052
1-[2-(bromomethyl)-4-methylphenyl]benzotriazole
CID 114054750
1-[4-[4-(benzotriazol-1-yl)-2,5-dipropylphenyl]-2,5-dipropylphenyl]benzotriazole
CID 59246688
3-(benzotriazol-1-yl)-2,5-dimethylaniline
CID 175638112
[2-(benzotriazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189865
2-(benzotriazol-1-yl)-4-ethoxy-5-fluoroaniline
CID 63593244
1-(2-methoxyphenyl)benzotriazole
CID 53415460

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole?
The IUPAC name of 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole (CID 129169740) is 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole?
The canonical SMILES for 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole is CCc1cc(-n2nnc3ccccc32)c(C)cn1.
What is the InChIKey of 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole?
The InChIKey is YHNSEVACYWKKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-11-8-14(10(2)9-15-11)18-13-7-5-4-6-12(13)16-17-18/h4-9H,3H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole?
1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole has a molecular weight of 238.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methyl-4-pyridinyl)benzotriazole is sourced from PubChem (CID 129169740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).