2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine

C19H20N4O — CID 70847615

IUPAC2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine
SMILESCc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1
InChIInChI=1S/C19H20N4O/c1-14(2)24-18-11-15(3)10-16(12-18)19-21-13-23(22-19)9-7-17-6-4-5-8-20-17/h4-14H,1-3H3/b9-7-
InChIKeyNJBVWUKCZAJTLS-CLFYSBASSA-N
MW320.40 g/mol
LogP4.06
Rot. Bonds5

About 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine

2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine (PubChem CID 70847615) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine
PubChem CID70847615
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine
SMILESCc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1
InChIInChI=1S/C19H20N4O/c1-14(2)24-18-11-15(3)10-16(12-18)19-21-13-23(22-19)9-7-17-6-4-5-8-20-17/h4-14H,1-3H3/b9-7-
InChIKeyNJBVWUKCZAJTLS-CLFYSBASSA-N
XLogP4.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?
The IUPAC name of 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine (CID 70847615) is 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine.
What is the SMILES notation for 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?
The canonical SMILES for 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine is Cc1cc(OC(C)C)cc(-c2ncn(/C=C\c3ccccn3)n2)c1.
What is the InChIKey of 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?
The InChIKey is NJBVWUKCZAJTLS-CLFYSBASSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14(2)24-18-11-15(3)10-16(12-18)19-21-13-23(22-19)9-7-17-6-4-5-8-20-17/h4-14H,1-3H3/b9-7-.
What are the key properties of 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine?
2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine has a molecular weight of 320.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[3-(3-methyl-5-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]ethenyl]pyridine is sourced from PubChem (CID 70847615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).