1-(1-methoxypentyl)benzotriazole

C12H17N3O — CID 3720190

IUPAC1-(1-methoxypentyl)benzotriazole
SMILESCCCCC(OC)n1nnc2ccccc21
InChIInChI=1S/C12H17N3O/c1-3-4-9-12(16-2)15-11-8-6-5-7-10(11)13-14-15/h5-8,12H,3-4,9H2,1-2H3
InChIKeyKDVXPYHUFQIGEL-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.77
Rot. Bonds5

About 1-(1-methoxypentyl)benzotriazole

1-(1-methoxypentyl)benzotriazole (PubChem CID 3720190) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1-methoxypentyl)benzotriazole.

Molecular Properties

Compound Name1-(1-methoxypentyl)benzotriazole
PubChem CID3720190
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(1-methoxypentyl)benzotriazole
SMILESCCCCC(OC)n1nnc2ccccc21
InChIInChI=1S/C12H17N3O/c1-3-4-9-12(16-2)15-11-8-6-5-7-10(11)13-14-15/h5-8,12H,3-4,9H2,1-2H3
InChIKeyKDVXPYHUFQIGEL-UHFFFAOYSA-N
XLogP2.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylbenzotriazole
CID 25902
1H-Benzotriazole-1-propanoic acid
CID 563218
1H-Benzotriazol-1-ylacetic acid
CID 313450
1-(4-morpholinomethyl)-1H-benzotriazole
CID 79626
3-Benzotriazol-1-yl-butyric acid
CID 563322
3-(1H-1,2,3-benzotriazol-1-yl)-2-methylpropanoic acid
CID 2913712
N-Acetylbenzotriazole
CID 87784
1H-Benzotriazole-1-methanol
CID 224169
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-Ethylbenzotriazole
CID 27939

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypentyl)benzotriazole?
The IUPAC name of 1-(1-methoxypentyl)benzotriazole (CID 3720190) is 1-(1-methoxypentyl)benzotriazole.
What is the SMILES notation for 1-(1-methoxypentyl)benzotriazole?
The canonical SMILES for 1-(1-methoxypentyl)benzotriazole is CCCCC(OC)n1nnc2ccccc21.
What is the InChIKey of 1-(1-methoxypentyl)benzotriazole?
The InChIKey is KDVXPYHUFQIGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-4-9-12(16-2)15-11-8-6-5-7-10(11)13-14-15/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-methoxypentyl)benzotriazole?
1-(1-methoxypentyl)benzotriazole has a molecular weight of 219.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypentyl)benzotriazole is sourced from PubChem (CID 3720190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).