4,5,6,7-tetraethyl-2H-benzotriazole

C14H21N3 — CID 175497559

IUPAC4,5,6,7-tetraethyl-2H-benzotriazole
SMILESCCc1c(CC)c(CC)c2n[nH]nc2c1CC
InChIInChI=1S/C14H21N3/c1-5-9-10(6-2)12(8-4)14-13(11(9)7-3)15-17-16-14/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyQLZPPCYRMPQADI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.21
Rot. Bonds4

About 4,5,6,7-tetraethyl-2H-benzotriazole

4,5,6,7-tetraethyl-2H-benzotriazole (PubChem CID 175497559) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4,5,6,7-tetraethyl-2H-benzotriazole.

Molecular Properties

Compound Name4,5,6,7-tetraethyl-2H-benzotriazole
PubChem CID175497559
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4,5,6,7-tetraethyl-2H-benzotriazole
SMILESCCc1c(CC)c(CC)c2n[nH]nc2c1CC
InChIInChI=1S/C14H21N3/c1-5-9-10(6-2)12(8-4)14-13(11(9)7-3)15-17-16-14/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyQLZPPCYRMPQADI-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-methyl-1H-pyrazol-3-amine
CID 3159689
4-ethyl-5-propyl-2H-triazole
CID 69382323
4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 53398873
7-ethyl-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676575
1,2,3,4,5,6,7,8-octaethyl-9H-carbazole
CID 90320915
[2,3,4,5-tetraethyl-6-(hydroxymethyl)phenyl]methanol
CID 15482392
4-ethyl-6-heptyl-2H-benzotriazol-5-amine
CID 69446645
4-chloro-5-ethyl-2H-triazole
CID 69384556
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene
CID 101101592
4-butyl-5-propyl-2H-triazole
CID 69382239
4-methyl-5-propyl-2H-triazole
CID 23402789

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetraethyl-2H-benzotriazole?
The IUPAC name of 4,5,6,7-tetraethyl-2H-benzotriazole (CID 175497559) is 4,5,6,7-tetraethyl-2H-benzotriazole.
What is the SMILES notation for 4,5,6,7-tetraethyl-2H-benzotriazole?
The canonical SMILES for 4,5,6,7-tetraethyl-2H-benzotriazole is CCc1c(CC)c(CC)c2n[nH]nc2c1CC.
What is the InChIKey of 4,5,6,7-tetraethyl-2H-benzotriazole?
The InChIKey is QLZPPCYRMPQADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-5-9-10(6-2)12(8-4)14-13(11(9)7-3)15-17-16-14/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4,5,6,7-tetraethyl-2H-benzotriazole?
4,5,6,7-tetraethyl-2H-benzotriazole has a molecular weight of 231.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetraethyl-2H-benzotriazole is sourced from PubChem (CID 175497559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).