1-butan-2-yl-5,6-dihydrobenzotriazole

C10H15N3 — CID 165130769

IUPAC1-butan-2-yl-5,6-dihydrobenzotriazole
SMILESCCC(C)n1nnc2c1=CCCC=2
InChIInChI=1S/C10H15N3/c1-3-8(2)13-10-7-5-4-6-9(10)11-12-13/h6-8H,3-5H2,1-2H3
InChIKeyCGUKZPYTOYNJPB-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.60
Rot. Bonds2

About 1-butan-2-yl-5,6-dihydrobenzotriazole

1-butan-2-yl-5,6-dihydrobenzotriazole (PubChem CID 165130769) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-butan-2-yl-5,6-dihydrobenzotriazole.

Molecular Properties

Compound Name1-butan-2-yl-5,6-dihydrobenzotriazole
PubChem CID165130769
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-butan-2-yl-5,6-dihydrobenzotriazole
SMILESCCC(C)n1nnc2c1=CCCC=2
InChIInChI=1S/C10H15N3/c1-3-8(2)13-10-7-5-4-6-9(10)11-12-13/h6-8H,3-5H2,1-2H3
InChIKeyCGUKZPYTOYNJPB-UHFFFAOYSA-N
XLogP0.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tert-butyl-5-fluoro-3a,4-dihydrobenzotriazole
CID 138535171
4-Fluoro-1-methyl-3a,4-dihydrobenzotriazole
CID 138535173
6-Fluoro-1-prop-2-enyl-3a,4-dihydrobenzotriazole
CID 146594720
1-Butyl-6-fluoro-3a,4-dihydrobenzotriazole
CID 146594721
1-Propan-2-yl-3a,7a-dihydrobenzotriazole
CID 59299600
1-Methyl-3a,7a-dihydrobenzotriazole
CID 89707627
3,5,6,7-Tetrahydrotriazolo[1,5-a]pyridine
CID 91801683
7-Methyl-3-propan-2-yl-3a,4-dihydrobenzotriazole
CID 134239562
5-Methyl-3-prop-2-enyl-3a,4-dihydrobenzotriazole
CID 134239613
1-Ethyl-6-methyl-3a,4-dihydrobenzotriazole
CID 138535114
1-(2,2-Dimethylpropyl)-3a,4-dihydrobenzotriazole
CID 146593641
1-Ethyl-3a,4-dihydrobenzotriazol-5-amine
CID 146594071

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5,6-dihydrobenzotriazole?
The IUPAC name of 1-butan-2-yl-5,6-dihydrobenzotriazole (CID 165130769) is 1-butan-2-yl-5,6-dihydrobenzotriazole.
What is the SMILES notation for 1-butan-2-yl-5,6-dihydrobenzotriazole?
The canonical SMILES for 1-butan-2-yl-5,6-dihydrobenzotriazole is CCC(C)n1nnc2c1=CCCC=2.
What is the InChIKey of 1-butan-2-yl-5,6-dihydrobenzotriazole?
The InChIKey is CGUKZPYTOYNJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-8(2)13-10-7-5-4-6-9(10)11-12-13/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-butan-2-yl-5,6-dihydrobenzotriazole?
1-butan-2-yl-5,6-dihydrobenzotriazole has a molecular weight of 177.25 g/mol, XLogP of 0.60, 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-5,6-dihydrobenzotriazole is sourced from PubChem (CID 165130769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).