2-(3-phenyltriazol-4-yl)ethanamine

C10H12N4 — CID 82200310

IUPAC2-(3-phenyltriazol-4-yl)ethanamine
SMILESNCCc1cnnn1-c1ccccc1
InChIInChI=1S/C10H12N4/c11-7-6-10-8-12-13-14(10)9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKeyADMDJFKSZBKPDK-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.77
Rot. Bonds3

About 2-(3-phenyltriazol-4-yl)ethanamine

2-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 82200310) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-phenyltriazol-4-yl)ethanamine
PubChem CID82200310
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(3-phenyltriazol-4-yl)ethanamine
SMILESNCCc1cnnn1-c1ccccc1
InChIInChI=1S/C10H12N4/c11-7-6-10-8-12-13-14(10)9-4-2-1-3-5-9/h1-5,8H,6-7,11H2
InChIKeyADMDJFKSZBKPDK-UHFFFAOYSA-N
XLogP0.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
2-(3-phenyltriazol-4-yl)acetaldehyde
CID 114690061
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516
5-(3-bromo-3-phenylpropyl)-1-phenyltriazole
CID 114690630
1-phenyl-3-(3-phenyltriazol-4-yl)propan-1-one
CID 46890245
N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide
CID 82199375
2-[3-[4-(2-methylpropoxy)phenyl]triazol-4-yl]ethanamine
CID 82199937
1-(3-phenyltriazol-4-yl)pentan-3-ol
CID 114690535
5-(3-bromo-4,4-dimethylpentyl)-1-phenyltriazole
CID 114690627
1-(3-phenyltriazol-4-yl)hexan-3-one
CID 114690267

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3-phenyltriazol-4-yl)ethanamine (CID 82200310) is 2-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-phenyltriazol-4-yl)ethanamine is NCCc1cnnn1-c1ccccc1.
What is the InChIKey of 2-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is ADMDJFKSZBKPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-7-6-10-8-12-13-14(10)9-4-2-1-3-5-9/h1-5,8H,6-7,11H2.
What are the key properties of 2-(3-phenyltriazol-4-yl)ethanamine?
2-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 188.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 82200310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).