1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole

C19H20N4 — CID 166287644

IUPAC1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole
SMILESc1ccc(-c2cccc(-c3cn(CCC4CNC4)nn3)c2)cc1
InChIInChI=1S/C19H20N4/c1-2-5-16(6-3-1)17-7-4-8-18(11-17)19-14-23(22-21-19)10-9-15-12-20-13-15/h1-8,11,14-15,20H,9-10,12-13H2
InChIKeyQUVNVLAYZZFJNF-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole

1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole (PubChem CID 166287644) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole
PubChem CID166287644
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole
SMILESc1ccc(-c2cccc(-c3cn(CCC4CNC4)nn3)c2)cc1
InChIInChI=1S/C19H20N4/c1-2-5-16(6-3-1)17-7-4-8-18(11-17)19-14-23(22-21-19)10-9-15-12-20-13-15/h1-8,11,14-15,20H,9-10,12-13H2
InChIKeyQUVNVLAYZZFJNF-UHFFFAOYSA-N
XLogP3.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azetidin-3-ylmethyl)-4-phenyltriazole
CID 86262228
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3-[1-(3-phenylpropyl)triazol-4-yl]aniline
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4-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 55113250
2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine
CID 167805491
1-(2-methoxyethyl)-4-phenyltriazole
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3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
CID 86262386
1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol
CID 166251756
3-[1-(2-(18F)fluoroethyl)triazol-4-yl](18F)aniline
CID 177458365
N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine
CID 72915566
ethane;4-(3-fluorophenyl)-1-propyltriazole
CID 155708968
3-[2-[4-(3-propoxyphenyl)triazol-1-yl]ethyl]pyrrolidin-2-one
CID 167760857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole (CID 166287644) is 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole is c1ccc(-c2cccc(-c3cn(CCC4CNC4)nn3)c2)cc1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole?
The InChIKey is QUVNVLAYZZFJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-2-5-16(6-3-1)17-7-4-8-18(11-17)19-14-23(22-21-19)10-9-15-12-20-13-15/h1-8,11,14-15,20H,9-10,12-13H2.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole?
1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole has a molecular weight of 304.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-4-(3-phenylphenyl)triazole is sourced from PubChem (CID 166287644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).