1-butan-2-yl-5-methylbenzotriazole

C11H15N3 — CID 134239580

IUPAC1-butan-2-yl-5-methylbenzotriazole
SMILESCCC(C)n1nnc2cc(C)ccc21
InChIInChI=1S/C11H15N3/c1-4-9(3)14-11-6-5-8(2)7-10(11)12-13-14/h5-7,9H,4H2,1-3H3
InChIKeyXBGIYWHAACWRTG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.71
Rot. Bonds2

About 1-butan-2-yl-5-methylbenzotriazole

1-butan-2-yl-5-methylbenzotriazole (PubChem CID 134239580) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-butan-2-yl-5-methylbenzotriazole.

Molecular Properties

Compound Name1-butan-2-yl-5-methylbenzotriazole
PubChem CID134239580
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-butan-2-yl-5-methylbenzotriazole
SMILESCCC(C)n1nnc2cc(C)ccc21
InChIInChI=1S/C11H15N3/c1-4-9(3)14-11-6-5-8(2)7-10(11)12-13-14/h5-7,9H,4H2,1-3H3
InChIKeyXBGIYWHAACWRTG-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-ylbenzotriazol-5-amine
CID 134294822
3-butan-2-ylbenzotriazole-5-carboxylic acid
CID 82784400
3-butan-2-ylbenzotriazole-5-carbonitrile
CID 134239510
1-(5-methylbenzotriazol-1-yl)-N,N-bis[(5-methylbenzotriazol-1-yl)methyl]methanamine
CID 4311938
1-[1-[(2R)-butan-2-yl]benzotriazol-5-yl]sulfonyl-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 92871144
1-(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 46330119
N-[2-(benzotriazol-1-yl)propyl]pentan-3-amine
CID 62561970
5,6-dimethyl-1-propan-2-ylbenzotriazole
CID 59167826
1-butan-2-yl-4,5-dimethyltriazole
CID 89451991
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
CID 134208512

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-methylbenzotriazole?
The IUPAC name of 1-butan-2-yl-5-methylbenzotriazole (CID 134239580) is 1-butan-2-yl-5-methylbenzotriazole.
What is the SMILES notation for 1-butan-2-yl-5-methylbenzotriazole?
The canonical SMILES for 1-butan-2-yl-5-methylbenzotriazole is CCC(C)n1nnc2cc(C)ccc21.
What is the InChIKey of 1-butan-2-yl-5-methylbenzotriazole?
The InChIKey is XBGIYWHAACWRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-9(3)14-11-6-5-8(2)7-10(11)12-13-14/h5-7,9H,4H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-methylbenzotriazole?
1-butan-2-yl-5-methylbenzotriazole has a molecular weight of 189.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-methylbenzotriazole is sourced from PubChem (CID 134239580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).