4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine

C14H16N4 — CID 122588789

IUPAC4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCn1cc(-c2ccc(C3=CCNCC3)cc2)nn1
InChIInChI=1S/C14H16N4/c1-18-10-14(16-17-18)13-4-2-11(3-5-13)12-6-8-15-9-7-12/h2-6,10,15H,7-9H2,1H3
InChIKeyPWRDYDUIEBTNAG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.86
Rot. Bonds2

About 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine

4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 122588789) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID122588789
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCn1cc(-c2ccc(C3=CCNCC3)cc2)nn1
InChIInChI=1S/C14H16N4/c1-18-10-14(16-17-18)13-4-2-11(3-5-13)12-6-8-15-9-7-12/h2-6,10,15H,7-9H2,1H3
InChIKeyPWRDYDUIEBTNAG-UHFFFAOYSA-N
XLogP1.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(1H-1,2,3-triazol-5-yl)aniline
CID 9942963
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
1-methyl-4-phenyl-1H-1,2,3-triazole
CID 11309663
3-[4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155542000
4-[1-(4-iodophenyl)triazol-4-yl]-N-methylaniline
CID 16736644
N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
[4-[(4-Phenyltriazol-1-yl)methyl]phenyl]boronic acid
CID 44518171
1-[4-[(S)-(benzylamino)-cyclohexylmethyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 69925414
(3R)-3-(4-phenyltriazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 70674874
(3R)-3-[4-[4-(fluoromethyl)phenyl]triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70674996

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine (CID 122588789) is 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine is Cn1cc(-c2ccc(C3=CCNCC3)cc2)nn1.
What is the InChIKey of 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is PWRDYDUIEBTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-10-14(16-17-18)13-4-2-11(3-5-13)12-6-8-15-9-7-12/h2-6,10,15H,7-9H2,1H3.
What are the key properties of 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 240.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methyltriazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 122588789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).