2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C19H14N6O — CID 6419285

IUPAC2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1
InChIInChI=1S/C19H14N6O/c1-26-13-8-6-12(7-9-13)16-10-17(23-22-16)18-21-19-14-4-2-3-5-15(14)20-11-25(19)24-18/h2-11H,1H3,(H,22,23)
InChIKeyOKQITPGCWPOFJQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.34
Rot. Bonds3

About 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 6419285) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID6419285
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1
InChIInChI=1S/C19H14N6O/c1-26-13-8-6-12(7-9-13)16-10-17(23-22-16)18-21-19-14-4-2-3-5-15(14)20-11-25(19)24-18/h2-11H,1H3,(H,22,23)
InChIKeyOKQITPGCWPOFJQ-UHFFFAOYSA-N
XLogP3.34
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 6419285) is 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is OKQITPGCWPOFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c1-26-13-8-6-12(7-9-13)16-10-17(23-22-16)18-21-19-14-4-2-3-5-15(14)20-11-25(19)24-18/h2-11H,1H3,(H,22,23).
What are the key properties of 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 342.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 6419285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).