1-[4-(4-propan-2-yloxyphenyl)butyl]triazole

C15H21N3O — CID 170376986

IUPAC1-[4-(4-propan-2-yloxyphenyl)butyl]triazole
SMILESCC(C)Oc1ccc(CCCCn2ccnn2)cc1
InChIInChI=1S/C15H21N3O/c1-13(2)19-15-8-6-14(7-9-15)5-3-4-11-18-12-10-16-17-18/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyZCLJQDHNAKHOAR-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.09
Rot. Bonds7

About 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole

1-[4-(4-propan-2-yloxyphenyl)butyl]triazole (PubChem CID 170376986) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole.

Molecular Properties

Compound Name1-[4-(4-propan-2-yloxyphenyl)butyl]triazole
PubChem CID170376986
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[4-(4-propan-2-yloxyphenyl)butyl]triazole
SMILESCC(C)Oc1ccc(CCCCn2ccnn2)cc1
InChIInChI=1S/C15H21N3O/c1-13(2)19-15-8-6-14(7-9-15)5-3-4-11-18-12-10-16-17-18/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyZCLJQDHNAKHOAR-UHFFFAOYSA-N
XLogP3.09
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.09
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-[(2-methylpropan-2-yl)oxy]-4-pentylbenzene;1-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]triazole
CID 159327303
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
4-[chloro-[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-(1H-indol-2-yl)-1,3-oxazole
CID 140524398
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
4-[4-(triazol-1-yl)butoxy]aniline
CID 143536159
N-ethyl-5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 65300939
2-[(E)-2-pyridin-2-ylethenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 142575792
N-(4-fluorophenyl)-2-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 11683511
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-thiazole-2-carboxamide
CID 11592140
2-[[[2-(4-methoxyphenyl)ethylamino]-[3-(triazol-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036707
2-[(E)-2-(4-ethynylphenyl)ethenyl]-4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 146831159

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole?
The IUPAC name of 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole (CID 170376986) is 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole.
What is the SMILES notation for 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole?
The canonical SMILES for 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole is CC(C)Oc1ccc(CCCCn2ccnn2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole?
The InChIKey is ZCLJQDHNAKHOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(2)19-15-8-6-14(7-9-15)5-3-4-11-18-12-10-16-17-18/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole?
1-[4-(4-propan-2-yloxyphenyl)butyl]triazole has a molecular weight of 259.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-yloxyphenyl)butyl]triazole is sourced from PubChem (CID 170376986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).