4-(4-butoxyphenyl)-1-ethyltriazole

C14H19N3O — CID 13399718

IUPAC4-(4-butoxyphenyl)-1-ethyltriazole
SMILESCCCCOc1ccc(-c2cn(CC)nn2)cc1
InChIInChI=1S/C14H19N3O/c1-3-5-10-18-13-8-6-12(7-9-13)14-11-17(4-2)16-15-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyDLQSYPNMXMBNFX-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.14
Rot. Bonds6

About 4-(4-butoxyphenyl)-1-ethyltriazole

4-(4-butoxyphenyl)-1-ethyltriazole (PubChem CID 13399718) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-1-ethyltriazole.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-1-ethyltriazole
PubChem CID13399718
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(4-butoxyphenyl)-1-ethyltriazole
SMILESCCCCOc1ccc(-c2cn(CC)nn2)cc1
InChIInChI=1S/C14H19N3O/c1-3-5-10-18-13-8-6-12(7-9-13)14-11-17(4-2)16-15-14/h6-9,11H,3-5,10H2,1-2H3
InChIKeyDLQSYPNMXMBNFX-UHFFFAOYSA-N
XLogP3.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(methylsulfanylmethyl)-4-(4-pentoxyphenyl)triazole
CID 132850270
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
N,N-dimethyl-3-[4-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]triazol-1-yl]ethyl]phenoxy]propan-1-amine
CID 163963700
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
(2S)-1-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-2-ol
CID 156767774
(2S)-2-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-1-ol
CID 156767783
1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)triazole
CID 129189733
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
CID 132549186
1-(3-naphthalen-2-yloxypropoxymethyl)-4-phenyltriazole
CID 71043104
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451

Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-1-ethyltriazole?
The IUPAC name of 4-(4-butoxyphenyl)-1-ethyltriazole (CID 13399718) is 4-(4-butoxyphenyl)-1-ethyltriazole.
What is the SMILES notation for 4-(4-butoxyphenyl)-1-ethyltriazole?
The canonical SMILES for 4-(4-butoxyphenyl)-1-ethyltriazole is CCCCOc1ccc(-c2cn(CC)nn2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-1-ethyltriazole?
The InChIKey is DLQSYPNMXMBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-5-10-18-13-8-6-12(7-9-13)14-11-17(4-2)16-15-14/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 4-(4-butoxyphenyl)-1-ethyltriazole?
4-(4-butoxyphenyl)-1-ethyltriazole has a molecular weight of 245.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-1-ethyltriazole is sourced from PubChem (CID 13399718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).