3-(5-amino-4-ethyltriazol-1-yl)phenol

C10H12N4O — CID 105456148

IUPAC3-(5-amino-4-ethyltriazol-1-yl)phenol
SMILESCCc1nnn(-c2cccc(O)c2)c1N
InChIInChI=1S/C10H12N4O/c1-2-9-10(11)14(13-12-9)7-4-3-5-8(15)6-7/h3-6,15H,2,11H2,1H3
InChIKeyJNVWYCWHFHDTRO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.12
Rot. Bonds2

About 3-(5-amino-4-ethyltriazol-1-yl)phenol

3-(5-amino-4-ethyltriazol-1-yl)phenol (PubChem CID 105456148) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(5-amino-4-ethyltriazol-1-yl)phenol.

Molecular Properties

Compound Name3-(5-amino-4-ethyltriazol-1-yl)phenol
PubChem CID105456148
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(5-amino-4-ethyltriazol-1-yl)phenol
SMILESCCc1nnn(-c2cccc(O)c2)c1N
InChIInChI=1S/C10H12N4O/c1-2-9-10(11)14(13-12-9)7-4-3-5-8(15)6-7/h3-6,15H,2,11H2,1H3
InChIKeyJNVWYCWHFHDTRO-UHFFFAOYSA-N
XLogP1.12
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-5-ethyltriazol-1-yl)phenol
CID 105456139
3-(5-amino-4-propan-2-yltriazol-1-yl)phenol
CID 105472470
3-(5-aminotriazol-1-yl)phenol
CID 105436385
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
CID 94068870
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
3-[5-(3-aminopropyl)tetrazol-1-yl]phenol
CID 82228068
3-(3-chlorophenyl)-5-ethyltriazole-4-carbaldehyde
CID 105497106
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
3-[5-(aminomethyl)-4,5,6,7-tetrahydrobenzotriazol-1-yl]phenol
CID 84704538
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-ethyltriazol-1-yl)phenol?
The IUPAC name of 3-(5-amino-4-ethyltriazol-1-yl)phenol (CID 105456148) is 3-(5-amino-4-ethyltriazol-1-yl)phenol.
What is the SMILES notation for 3-(5-amino-4-ethyltriazol-1-yl)phenol?
The canonical SMILES for 3-(5-amino-4-ethyltriazol-1-yl)phenol is CCc1nnn(-c2cccc(O)c2)c1N.
What is the InChIKey of 3-(5-amino-4-ethyltriazol-1-yl)phenol?
The InChIKey is JNVWYCWHFHDTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-9-10(11)14(13-12-9)7-4-3-5-8(15)6-7/h3-6,15H,2,11H2,1H3.
What are the key properties of 3-(5-amino-4-ethyltriazol-1-yl)phenol?
3-(5-amino-4-ethyltriazol-1-yl)phenol has a molecular weight of 204.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-ethyltriazol-1-yl)phenol is sourced from PubChem (CID 105456148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).