3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol

C10H12N4O — CID 84672362

IUPAC3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
SMILESNCCc1nncn1-c1cccc(O)c1
InChIInChI=1S/C10H12N4O/c11-5-4-10-13-12-7-14(10)8-2-1-3-9(15)6-8/h1-3,6-7,15H,4-5,11H2
InChIKeyXJFABEICSWIQDZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.47
Rot. Bonds3

About 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol

3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol (PubChem CID 84672362) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
PubChem CID84672362
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol
SMILESNCCc1nncn1-c1cccc(O)c1
InChIInChI=1S/C10H12N4O/c11-5-4-10-13-12-7-14(10)8-2-1-3-9(15)6-8/h1-3,6-7,15H,4-5,11H2
InChIKeyXJFABEICSWIQDZ-UHFFFAOYSA-N
XLogP0.47
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-bromophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82487209
2-[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 56706277
4-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]-N,N-diethylaniline
CID 98016995
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
2-[3-(3-ethyl-1,2,4-triazol-4-yl)phenoxy]ethanamine
CID 96687117
(4-phenyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 71779094
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
2-[4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82476554
1-(2,6-diethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111066013
5-(4-phenyl-1,2,4-triazol-3-yl)pentanoic acid
CID 62711798
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
CID 115393404

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol?
The IUPAC name of 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol (CID 84672362) is 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol.
What is the SMILES notation for 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol?
The canonical SMILES for 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol is NCCc1nncn1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol?
The InChIKey is XJFABEICSWIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-5-4-10-13-12-7-14(10)8-2-1-3-9(15)6-8/h1-3,6-7,15H,4-5,11H2.
What are the key properties of 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol?
3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol has a molecular weight of 204.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-1,2,4-triazol-4-yl]phenol is sourced from PubChem (CID 84672362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).