2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol

C11H14N4O — CID 83888150

IUPAC2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol
SMILESNCC(O)c1cccc2c1nnn2C1CC1
InChIInChI=1S/C11H14N4O/c12-6-10(16)8-2-1-3-9-11(8)13-14-15(9)7-4-5-7/h1-3,7,10,16H,4-6,12H2
InChIKeyWTVUFTBWYPPARN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol

2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol (PubChem CID 83888150) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol
PubChem CID83888150
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol
SMILESNCC(O)c1cccc2c1nnn2C1CC1
InChIInChI=1S/C11H14N4O/c12-6-10(16)8-2-1-3-9-11(8)13-14-15(9)7-4-5-7/h1-3,7,10,16H,4-6,12H2
InChIKeyWTVUFTBWYPPARN-UHFFFAOYSA-N
XLogP0.76
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopropylbenzotriazol-4-yl)ethanamine
CID 83881240
1,4-dicyclohexylbenzotriazole
CID 23036150
(1R)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-1-ol
CID 103960726
ethyl 3-(1-cyclopropyl-4-methylbenzotriazol-5-yl)-3-[6-(hydroxymethyl)-5-methyl-2-pyridinyl]propanoate
CID 146372475
(2R,3S,5R)-5-(4-aminobenzotriazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 639409
2-(3-cyclopropylbenzotriazol-4-yl)ethanamine
CID 83881234
2-amino-1-[3-(1-methylazetidin-3-yl)phenyl]ethanol
CID 83833468
1-(2,2-dimethyloxan-4-yl)benzotriazole-4-carboxylic acid
CID 83028566
[(2S,5R)-5-(4-carbamoylbenzotriazol-1-yl)oxolan-2-yl]methoxy-N-oxophosphonamidic acid
CID 154990316
2-amino-1-(2-cyclohexylphenyl)ethanol
CID 83837309
2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
4-[3-(2-amino-1-hydroxyethyl)phenyl]-1-methylpiperazine-2,6-dione
CID 117412466

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol?
The IUPAC name of 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol (CID 83888150) is 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol is NCC(O)c1cccc2c1nnn2C1CC1.
What is the InChIKey of 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol?
The InChIKey is WTVUFTBWYPPARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-10(16)8-2-1-3-9-11(8)13-14-15(9)7-4-5-7/h1-3,7,10,16H,4-6,12H2.
What are the key properties of 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol?
2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol is sourced from PubChem (CID 83888150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).