4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine

C14H14N4O — CID 10400070

IUPAC4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine
SMILESCOc1ccc(N2N=NCC2c2ccncc2)cc1
InChIInChI=1S/C14H14N4O/c1-19-13-4-2-12(3-5-13)18-14(10-16-17-18)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3
InChIKeyHPVBYNDQYNORNU-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.02
Rot. Bonds3

About 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine

4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine (PubChem CID 10400070) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine
PubChem CID10400070
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine
SMILESCOc1ccc(N2N=NCC2c2ccncc2)cc1
InChIInChI=1S/C14H14N4O/c1-19-13-4-2-12(3-5-13)18-14(10-16-17-18)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3
InChIKeyHPVBYNDQYNORNU-UHFFFAOYSA-N
XLogP3.02
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine (CID 10400070) is 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine is COc1ccc(N2N=NCC2c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine?
The InChIKey is HPVBYNDQYNORNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-13-4-2-12(3-5-13)18-14(10-16-17-18)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine?
4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine has a molecular weight of 254.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-4,5-dihydrotriazol-4-yl]pyridine is sourced from PubChem (CID 10400070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).