(2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol

C10H14N4O — CID 101014523

IUPAC(2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol
SMILESC[C@H](O)CCc1cccc2nnn(N)c12
InChIInChI=1S/C10H14N4O/c1-7(15)5-6-8-3-2-4-9-10(8)14(11)13-12-9/h2-4,7,15H,5-6,11H2,1H3/t7-/m0/s1
InChIKeyMIIZBAMLKNZTQU-ZETCQYMHSA-N
MW206.25 g/mol
LogP0.46
Rot. Bonds3

About (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol

(2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol (PubChem CID 101014523) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol
PubChem CID101014523
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol
SMILESC[C@H](O)CCc1cccc2nnn(N)c12
InChIInChI=1S/C10H14N4O/c1-7(15)5-6-8-3-2-4-9-10(8)14(11)13-12-9/h2-4,7,15H,5-6,11H2,1H3/t7-/m0/s1
InChIKeyMIIZBAMLKNZTQU-ZETCQYMHSA-N
XLogP0.46
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol?
The IUPAC name of (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol (CID 101014523) is (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol.
What is the SMILES notation for (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol?
The canonical SMILES for (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol is C[C@H](O)CCc1cccc2nnn(N)c12.
What is the InChIKey of (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol?
The InChIKey is MIIZBAMLKNZTQU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(15)5-6-8-3-2-4-9-10(8)14(11)13-12-9/h2-4,7,15H,5-6,11H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol?
(2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol has a molecular weight of 206.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-aminobenzotriazol-4-yl)butan-2-ol is sourced from PubChem (CID 101014523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).