4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol

C14H13N3O — CID 137025364

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol
SMILESCCn1ncnc1-c1ccc(O)c2ccccc12
InChIInChI=1S/C14H13N3O/c1-2-17-14(15-9-16-17)12-7-8-13(18)11-6-4-3-5-10(11)12/h3-9,18H,2H2,1H3
InChIKeyOJJFSAYQUBBHDR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.82
Rot. Bonds2

About 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol

4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol (PubChem CID 137025364) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol
PubChem CID137025364
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol
SMILESCCn1ncnc1-c1ccc(O)c2ccccc12
InChIInChI=1S/C14H13N3O/c1-2-17-14(15-9-16-17)12-7-8-13(18)11-6-4-3-5-10(11)12/h3-9,18H,2H2,1H3
InChIKeyOJJFSAYQUBBHDR-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methyl-3-(methylthio)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone
CID 651108
1-{(E)-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}-2-naphthol
CID 135457647
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
3-[4-[5-(3-Hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol
CID 57391070
4-(1-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136270902
4-(1-methyl-1H-1,2,4-triazol-5-yl)phenol
CID 136316379
3-(5-Phenyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene)naphthalen-2(3H)-one
CID 135618203
4-Hydroxy-3-[3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-5-(trifluoromethyl)benzonitrile
CID 167329060
2-methyl-4-[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]phenol
CID 137025263

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol (CID 137025364) is 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol is CCn1ncnc1-c1ccc(O)c2ccccc12.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol?
The InChIKey is OJJFSAYQUBBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-17-14(15-9-16-17)12-7-8-13(18)11-6-4-3-5-10(11)12/h3-9,18H,2H2,1H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol?
4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)naphthalen-1-ol is sourced from PubChem (CID 137025364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).