1-tridecylbenzotriazole

C19H31N3 — CID 21059042

IUPAC1-tridecylbenzotriazole
SMILESCCCCCCCCCCCCCn1nnc2ccccc21
InChIInChI=1S/C19H31N3/c1-2-3-4-5-6-7-8-9-10-11-14-17-22-19-16-13-12-15-18(19)20-21-22/h12-13,15-16H,2-11,14,17H2,1H3
InChIKeyHCHOOGLICGXJCC-UHFFFAOYSA-N
MW301.48 g/mol
LogP5.74
Rot. Bonds12

About 1-tridecylbenzotriazole

1-tridecylbenzotriazole (PubChem CID 21059042) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-tridecylbenzotriazole.

Molecular Properties

Compound Name1-tridecylbenzotriazole
PubChem CID21059042
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-tridecylbenzotriazole
SMILESCCCCCCCCCCCCCn1nnc2ccccc21
InChIInChI=1S/C19H31N3/c1-2-3-4-5-6-7-8-9-10-11-14-17-22-19-16-13-12-15-18(19)20-21-22/h12-13,15-16H,2-11,14,17H2,1H3
InChIKeyHCHOOGLICGXJCC-UHFFFAOYSA-N
XLogP5.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

silver 1-octylbenzotriazole
CID 19818350
acetic acid;1-octylbenzotriazole
CID 175150004
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(benzotriazol-1-yl)undecan-2-one
CID 3783486
N-(benzotriazol-1-ylmethyl)undecan-1-amine
CID 87833525
18-(benzotriazol-1-yl)octadecanoic acid
CID 19873915
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
1-(3-chloropropyl)benzotriazole
CID 5243938
1-(butylselanylmethyl)benzotriazole
CID 10635572
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
N-(benzotriazol-1-ylmethyl)-4-dodecyl-N-(4-dodecylphenyl)aniline
CID 155230047

Frequently Asked Questions

What is the IUPAC name of 1-tridecylbenzotriazole?
The IUPAC name of 1-tridecylbenzotriazole (CID 21059042) is 1-tridecylbenzotriazole.
What is the SMILES notation for 1-tridecylbenzotriazole?
The canonical SMILES for 1-tridecylbenzotriazole is CCCCCCCCCCCCCn1nnc2ccccc21.
What is the InChIKey of 1-tridecylbenzotriazole?
The InChIKey is HCHOOGLICGXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-2-3-4-5-6-7-8-9-10-11-14-17-22-19-16-13-12-15-18(19)20-21-22/h12-13,15-16H,2-11,14,17H2,1H3.
What are the key properties of 1-tridecylbenzotriazole?
1-tridecylbenzotriazole has a molecular weight of 301.48 g/mol, XLogP of 5.74, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylbenzotriazole is sourced from PubChem (CID 21059042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).