2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine

C18H19N5 — CID 175938515

IUPAC2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
SMILESc1ccc(Cn2cc(-c3cccc(CN4CCC4)c3)nn2)nc1
InChIInChI=1S/C18H19N5/c1-2-8-19-17(7-1)13-23-14-18(20-21-23)16-6-3-5-15(11-16)12-22-9-4-10-22/h1-3,5-8,11,14H,4,9-10,12-13H2
InChIKeyRFBXQWWIYLOONF-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.59
Rot. Bonds5

About 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine

2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine (PubChem CID 175938515) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
PubChem CID175938515
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
SMILESc1ccc(Cn2cc(-c3cccc(CN4CCC4)c3)nn2)nc1
InChIInChI=1S/C18H19N5/c1-2-8-19-17(7-1)13-23-14-18(20-21-23)16-6-3-5-15(11-16)12-22-9-4-10-22/h1-3,5-8,11,14H,4,9-10,12-13H2
InChIKeyRFBXQWWIYLOONF-UHFFFAOYSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443032
2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine
CID 175938528
2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
CID 177085297
bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
N,N-dimethyl-1-[5-[(3-pyridin-2-ylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
CID 56892807
1-[[3-[[4-(1H-pyrazol-4-yl)triazol-1-yl]methyl]phenyl]methyl]piperidine
CID 167830431
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
N-[3-(1-benzyltriazol-4-yl)phenyl]-1-pyridin-2-ylmethanimine
CID 102195601
2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine
CID 68514359
1-[(3-methylsulfanylphenyl)methyl]-4-phenyltriazole
CID 174984307
4-[[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methyl]morpholine
CID 162443136
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine (CID 175938515) is 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine is c1ccc(Cn2cc(-c3cccc(CN4CCC4)c3)nn2)nc1.
What is the InChIKey of 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine?
The InChIKey is RFBXQWWIYLOONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-2-8-19-17(7-1)13-23-14-18(20-21-23)16-6-3-5-15(11-16)12-22-9-4-10-22/h1-3,5-8,11,14H,4,9-10,12-13H2.
What are the key properties of 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine?
2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine has a molecular weight of 305.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 175938515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).