2-(1-cyclopropylbenzotriazol-4-yl)ethanamine

C11H14N4 — CID 83881240

IUPAC2-(1-cyclopropylbenzotriazol-4-yl)ethanamine
SMILESNCCc1cccc2c1nnn2C1CC1
InChIInChI=1S/C11H14N4/c12-7-6-8-2-1-3-10-11(8)13-14-15(10)9-4-5-9/h1-3,9H,4-7,12H2
InChIKeyVDSQUGGNLHJUGI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.27
Rot. Bonds3

About 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine

2-(1-cyclopropylbenzotriazol-4-yl)ethanamine (PubChem CID 83881240) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopropylbenzotriazol-4-yl)ethanamine
PubChem CID83881240
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(1-cyclopropylbenzotriazol-4-yl)ethanamine
SMILESNCCc1cccc2c1nnn2C1CC1
InChIInChI=1S/C11H14N4/c12-7-6-8-2-1-3-10-11(8)13-14-15(10)9-4-5-9/h1-3,9H,4-7,12H2
InChIKeyVDSQUGGNLHJUGI-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropylbenzotriazol-4-yl)ethanamine
CID 83881234
2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol
CID 83888150
1,4-dicyclohexylbenzotriazole
CID 23036150
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
2-[2-(1-cyclopentyltetrazol-5-yl)sulfanylphenyl]ethanamine
CID 63818266
2-cinnolin-8-ylethanamine
CID 68501199
2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
CID 115017021
(2R,3S,5R)-5-(4-aminobenzotriazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 639409
2-(1-cyclopropyl-4-methoxyindol-3-yl)ethanamine
CID 115037881
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
(1-cyclopropylindol-4-yl)methanamine
CID 115017108

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine (CID 83881240) is 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine is NCCc1cccc2c1nnn2C1CC1.
What is the InChIKey of 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine?
The InChIKey is VDSQUGGNLHJUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-7-6-8-2-1-3-10-11(8)13-14-15(10)9-4-5-9/h1-3,9H,4-7,12H2.
What are the key properties of 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine?
2-(1-cyclopropylbenzotriazol-4-yl)ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbenzotriazol-4-yl)ethanamine is sourced from PubChem (CID 83881240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).