7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine

C16H15N3 — CID 141327802

IUPAC7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC/C(=C\c1ccn2ncnc2c1)c1ccccc1
InChIInChI=1S/C16H15N3/c1-2-14(15-6-4-3-5-7-15)10-13-8-9-19-16(11-13)17-12-18-19/h3-12H,2H2,1H3/b14-10+
InChIKeyLJPHWGMZJYUJJT-GXDHUFHOSA-N
MW249.32 g/mol
LogP3.68
Rot. Bonds3

About 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 141327802) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID141327802
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC/C(=C\c1ccn2ncnc2c1)c1ccccc1
InChIInChI=1S/C16H15N3/c1-2-14(15-6-4-3-5-7-15)10-13-8-9-19-16(11-13)17-12-18-19/h3-12H,2H2,1H3/b14-10+
InChIKeyLJPHWGMZJYUJJT-GXDHUFHOSA-N
XLogP3.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 83873004
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482
3-(1-phenylbut-1-en-2-yl)phenol
CID 91153074
2-[(Z)-2-phenylbut-1-enyl]phenol
CID 11031503
N-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 119085052
[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 83866151
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
2-[(Z)-1-phenylbut-1-en-2-yl]naphthalene
CID 58787072
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
3-[(E)-2-pyridin-4-ylbut-1-enyl]phenol
CID 6172556
(E)-1-[(3aS,6aS)-4-([1,2,4]triazolo[1,5-a]pyridine-7-carbonyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-phenylprop-2-en-1-one
CID 162637575
4-(2-phenylbut-1-enyl)-1-tritylimidazole
CID 66625783

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 141327802) is 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine is CC/C(=C\c1ccn2ncnc2c1)c1ccccc1.
What is the InChIKey of 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LJPHWGMZJYUJJT-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-14(15-6-4-3-5-7-15)10-13-8-9-19-16(11-13)17-12-18-19/h3-12H,2H2,1H3/b14-10+.
What are the key properties of 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 249.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-phenylbut-1-enyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 141327802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).